Receptor
PDB id Resolution Class Description Source Keywords
1F5K 1.8 Å EC: 3.4.21.73 UROKINASE PLASMINOGEN ACTIVATOR B-CHAIN-BENZAMIDINE COMPLEX HOMO SAPIENS UROKINASE INHIBITOR SERINE PROTEASE HUMAN HYDROLASE
Ref.: CRYSTALS OF THE UROKINASE TYPE PLASMINOGEN ACTIVATOR VARIANT BETA(C)-UPAIN COMPLEX WITH SMALL MOLECULE INHIBITORS OPEN THE WAY TOWARDS STRUCTURE-BASED DRUG DESIGN. J.MOL.BIOL. V. 301 465 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BAM U:300;
Valid;
none;
Ki = 180 uM
121.16 C7 H9 N2 c1ccc...
SO4 U:402;
U:403;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SQA 2 Å EC: 3.4.21.73 SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE HOMO SAPIENS PLASMINOGEN ACTIVATION HYDROLASE SERINE PROTEASE GLYCOPROTEIN KRINGLE EGF-LIKE DOMAIN
Ref.: INTERACTION WITH THE S1BETA-POCKET OF UROKINASE: 8-HETEROCYCLE SUBSTITUTED AND 6,8-DISUBSTITUTED 2-NAPHTHAMIDINE UROKINASE INHIBITORS. BIOORG.MED.CHEM.LETT. V. 14 3063 2004
Members (38)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1W0Z Ki = 21 nM SI1 C18 H29 N5 O5 S [H]/N=C(c1....
2 4ZHL Kd = 0.0147 uM CYS PRO ALA TYR SER ARG TYR ILE GLY CYS n/a n/a
3 2VIV ic50 = 520 nM VG2 C22 H28 Cl N3 O2 Cc1cc(cc(c....
4 1SC8 Ki = 0.036 uM 2IN C20 H25 N5 O5 S c1ccc(cc1)....
5 1OWE Ki = 0.631 uM 675 C18 H15 N3 O [H]/N=C(/c....
6 4X1Q - CYS PRO ALA TYR SER ARG TYR LEU ASP CYS n/a n/a
7 2VIP ic50 = 5.2 uM L1R C18 H20 Cl2 N2 O3 CC(C)Oc1cc....
8 5ZAF Ki = 166 nM 28I C16 H21 N7 O2 [H]/N=C(N)....
9 1SQT Ki = 0.63 uM UI3 C16 H16 N4 O3 S [H]/N=C(/c....
10 1W13 Ki = 2 nM SM1 C21 H28 N6 O5 S [H]/N=C(/N....
11 1OWH Ki = 40 nM 239 C19 H18 N4 O [H]/N=C(/c....
12 1EJN Ki = 2.4 uM AGB C19 H27 N5 O [H]/N=C(/N....
13 4ZHM Kd = 0.00081 uM MRZ CYS PRO ALA TYR SER ALA TYR ILE GLY CYS n/a n/a
14 2VIN ic50 > 1 mM 505 C11 H17 N O Cc1cccc(c1....
15 5ZA8 Ki = 508 nM 27I C16 H23 N9 O [H]/N=C(/N....
16 5ZA7 Ki = 1356 nM HMX C12 H18 Cl N7 O C1CCCN(CC1....
17 4X0W - MRZ CYS PRO ALA TYR SER DAL TYR LEU ASP CYS n/a n/a
18 1U6Q - 745 C20 H18 N2 [H]/N=C(/c....
19 5ZA9 Ki = 183 nM 50I C20 H23 N7 O2 [H]/N=C(/N....
20 2VIQ ic50 = 1.3 uM D55 C21 H28 N2 O4 CCOc1ccc(c....
21 4X1P - CYS PRO ALA TYR SER DAL TYR LEU ASP CYS MRZ n/a n/a
22 6NMB Ki = 2.01 mM AMH C8 H15 N O2 C1CC(CCC1C....
23 5ZAG Ki = 108 nM 94I C16 H21 N9 O [H]/N=C(N)....
24 5ZC5 Ki = 88 nM 09I C20 H22 F N7 O2 [H]/N=C(/N....
25 1VJ9 Ki = 0.028 uM 5IN C28 H33 N5 O6 S c1ccc(cc1)....
26 1F5K Ki = 180 uM BAM C7 H9 N2 c1ccc(cc1)....
27 5ZAE Ki = 156 nM EAU C16 H21 N7 O2 [H]/N=C(/N....
28 1OWD Ki = 6.3 nM 497 C23 H24 N4 O CC[C@H]1CN....
29 2VNT Ki = 9.9 nM QGG C15 H16 Cl N5 O4 S c1cc2c(cc1....
30 2VIO ic50 = 40 uM L1O C9 H9 Cl2 N O3 c1c(cc(c(c....
31 1F5L Ki = 5.3 uM AMR C6 H8 Cl N7 O c1(c(nc(c(....
32 5ZAJ Ki = 42 nM 32I C18 H25 N9 O3 [H]/N=C(/N....
33 2R2W Ki = 34 uM 4PG C15 H15 N3 O [H]/N=C(/N....
34 2VIW ic50 = 72 nM D56 C24 H32 Cl N3 O3 CCOc1c(cc(....
35 1W11 Ki = 6 nM SK1 C21 H27 N5 O5 S [H]/N=C(c1....
36 1SQA Ki = 0.00062 uM UI1 C23 H21 N7 O c1cnc(nc1)....
37 1VJA Ki = 0.02 uM 7IN C21 H27 N5 O6 S c1ccc(cc1)....
38 1SQO Ki = 0.035 uM UI2 C15 H13 N5 c1cc2ccc(c....
70% Homology Family (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6A8N Ki = 6.8 nM CYS PRO ALA TYR SER ARG TYR ILE GLY CYS n/a n/a
2 1W0Z Ki = 21 nM SI1 C18 H29 N5 O5 S [H]/N=C(c1....
3 4ZHL Kd = 0.0147 uM CYS PRO ALA TYR SER ARG TYR ILE GLY CYS n/a n/a
4 2VIV ic50 = 520 nM VG2 C22 H28 Cl N3 O2 Cc1cc(cc(c....
5 1SC8 Ki = 0.036 uM 2IN C20 H25 N5 O5 S c1ccc(cc1)....
6 1OWE Ki = 0.631 uM 675 C18 H15 N3 O [H]/N=C(/c....
7 4X1Q - CYS PRO ALA TYR SER ARG TYR LEU ASP CYS n/a n/a
8 2VIP ic50 = 5.2 uM L1R C18 H20 Cl2 N2 O3 CC(C)Oc1cc....
9 5ZAF Ki = 166 nM 28I C16 H21 N7 O2 [H]/N=C(N)....
10 1SQT Ki = 0.63 uM UI3 C16 H16 N4 O3 S [H]/N=C(/c....
11 1W13 Ki = 2 nM SM1 C21 H28 N6 O5 S [H]/N=C(/N....
12 1OWH Ki = 40 nM 239 C19 H18 N4 O [H]/N=C(/c....
13 1EJN Ki = 2.4 uM AGB C19 H27 N5 O [H]/N=C(/N....
14 4ZHM Kd = 0.00081 uM MRZ CYS PRO ALA TYR SER ALA TYR ILE GLY CYS n/a n/a
15 2VIN ic50 > 1 mM 505 C11 H17 N O Cc1cccc(c1....
16 5ZA8 Ki = 508 nM 27I C16 H23 N9 O [H]/N=C(/N....
17 5ZA7 Ki = 1356 nM HMX C12 H18 Cl N7 O C1CCCN(CC1....
18 4X0W - MRZ CYS PRO ALA TYR SER DAL TYR LEU ASP CYS n/a n/a
19 1U6Q - 745 C20 H18 N2 [H]/N=C(/c....
20 5ZA9 Ki = 183 nM 50I C20 H23 N7 O2 [H]/N=C(/N....
21 2VIQ ic50 = 1.3 uM D55 C21 H28 N2 O4 CCOc1ccc(c....
22 4X1P - CYS PRO ALA TYR SER DAL TYR LEU ASP CYS MRZ n/a n/a
23 6NMB Ki = 2.01 mM AMH C8 H15 N O2 C1CC(CCC1C....
24 5ZAG Ki = 108 nM 94I C16 H21 N9 O [H]/N=C(N)....
25 5ZC5 Ki = 88 nM 09I C20 H22 F N7 O2 [H]/N=C(/N....
26 1VJ9 Ki = 0.028 uM 5IN C28 H33 N5 O6 S c1ccc(cc1)....
27 1F5K Ki = 180 uM BAM C7 H9 N2 c1ccc(cc1)....
28 5ZAE Ki = 156 nM EAU C16 H21 N7 O2 [H]/N=C(/N....
29 1OWD Ki = 6.3 nM 497 C23 H24 N4 O CC[C@H]1CN....
30 2VNT Ki = 9.9 nM QGG C15 H16 Cl N5 O4 S c1cc2c(cc1....
31 2VIO ic50 = 40 uM L1O C9 H9 Cl2 N O3 c1c(cc(c(c....
32 1F5L Ki = 5.3 uM AMR C6 H8 Cl N7 O c1(c(nc(c(....
33 5ZAJ Ki = 42 nM 32I C18 H25 N9 O3 [H]/N=C(/N....
34 2R2W Ki = 34 uM 4PG C15 H15 N3 O [H]/N=C(/N....
35 2VIW ic50 = 72 nM D56 C24 H32 Cl N3 O3 CCOc1c(cc(....
36 1W11 Ki = 6 nM SK1 C21 H27 N5 O5 S [H]/N=C(c1....
37 1SQA Ki = 0.00062 uM UI1 C23 H21 N7 O c1cnc(nc1)....
38 1VJA Ki = 0.02 uM 7IN C21 H27 N5 O6 S c1ccc(cc1)....
39 1SQO Ki = 0.035 uM UI2 C15 H13 N5 c1cc2ccc(c....
50% Homology Family (468)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1V2V Ki = 427 uM BEN C7 H8 N2 [H]/N=C(c1....
2 2ZDN - 49U C21 H30 N4 O2 [H]/N=C(c1....
3 2ZQ1 - 11U C21 H31 N5 O2 [H]/N=C(/c....
4 1TNH Ki = 0.43 mM FBA C7 H9 F N c1cc(ccc1C....
5 2BYA - BAM C7 H9 N2 c1ccc(cc1)....
6 6SV0 - BEN C7 H8 N2 [H]/N=C(c1....
7 1Y5A Ki = 1.33 uM TL2 C20 H22 N4 O4 [H]/N=C(c1....
8 5MNG - BAM C7 H9 N2 c1ccc(cc1)....
9 6SW0 - BEN C7 H8 N2 [H]/N=C(c1....
10 2AYW - ONO C28 H31 N5 O6 CC(C)(C)[C....
11 6SV9 - BEN C7 H8 N2 [H]/N=C(c1....
12 6SVR - BEN C7 H8 N2 [H]/N=C(c1....
13 1Y3Y Ki = 2300 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
14 3PTB - BEN C7 H8 N2 [H]/N=C(c1....
15 5FXL - BEN C7 H8 N2 [H]/N=C(c1....
16 1O2I Ki = 0.052 uM 655 C19 H20 N4 O2 c1cc(c(c(c....
17 1GI6 Ki = 1.7 uM 124 C15 H14 N3 O c1ccc(c(c1....
18 5MON Kd = 3.3 mM 2AP C5 H7 N2 c1cc[nH+]c....
19 1O3D Ki = 0.074 uM 780 C20 H16 N4 O c1ccc(cc1)....
20 5F6M - BEN C7 H8 N2 [H]/N=C(c1....
21 1Y59 Ki = 1.19 uM TL1 C20 H22 N4 O4 c1cc(cc(c1....
22 1O39 Ki = 0.074 uM 780 C20 H16 N4 O c1ccc(cc1)....
23 1QL7 Kd = 15 uM ZEN C25 H27 Cl N4 O3 S c1cc(cc2c1....
24 2ZDM - 46U C21 H30 N4 O3 [H]/N=C(/c....
25 3NK8 - JKZ C9 H8 F3 N O C1CC2=C(C1....
26 1C2I - BAK C17 H16 N8 O c1cc2c(cc1....
27 1C2E - BAK C17 H16 N8 O c1cc2c(cc1....
28 1G3C Ki = 1.6 uM 109 FE 109 n/a n/a
29 1YP9 Ki = 7700 nM UIZ C31 H32 N4 O3 [H]/N=C(/c....
30 6B6T - BEN C7 H8 N2 [H]/N=C(c1....
31 1V2L Ki = 51 uM BEN C7 H8 N2 [H]/N=C(c1....
32 1Y3X Ki = 7315 nM UIB C26 H32 N4 O3 CC[C@@H]1[....
33 1OYQ Ki = 110 nM T87 C29 H31 N7 O3 [H]/N=C(/c....
34 6SY3 Ki = 497 uM LXW C26 H28 N4 O2 c1ccc(cc1)....
35 1XUG Ki = 0.09 uM BAB C17 H19 N8 c1cc2c(cc1....
36 3AAU Ki = 9 uM GZC CU n/a n/a
37 1C5S Ki = 1 uM ESX C9 H9 N2 S c1ccc2c(c1....
38 1V2N Ki = 1.25 uM BBA C23 H28 N4 O c1cc(ccc1C....
39 1XUH - BAO C17 H14 N8 O c1cc2c(cc1....
40 2G8T - MI2 C16 H15 N3 [H]/N=C(c1....
41 2BY8 - BAM C7 H9 N2 c1ccc(cc1)....
42 5MN1 Kd = 3.3 mM 2AP C5 H7 N2 c1cc[nH+]c....
43 1XUK Ki = 19 uM BAB C17 H19 N8 c1cc2c(cc1....
44 1V2J Ki = 566 uM BEN C7 H8 N2 [H]/N=C(c1....
45 5EG4 Ki = 21 nM 5N7 C42 H56 N10 O6 S [H]/N=C(c1....
46 6SVJ - BEN C7 H8 N2 [H]/N=C(c1....
47 1K1N Kd = 153 nM CCR C29 H39 N5 O7 S Cc1cc(c(c(....
48 1V2M Ki = 51 uM BEN C7 H8 N2 [H]/N=C(c1....
49 1C1T - BAB C17 H19 N8 c1cc2c(cc1....
50 1G3E Ki = 4.2 uM 109 C11 H15 N3 O3 C[C@@H](C(....
51 2FX6 Ki = 200 uM 270 C7 H7 N3 C1=CC2=NC(....
52 2ZQ2 Kd = 276 nM 13U C23 H35 N5 O2 [H]/N=C(/c....
53 1MTW - DX9 C26 H28 N4 O3 [H]/N=C(C)....
54 1QA0 - 270 C7 H7 N3 C1=CC2=NC(....
55 1F0T Ki = 1000 nM PR1 C19 H19 N5 O4 S2 c1cc2c(cc(....
56 1O3E Ki = 0.011 uM 696 C21 H17 N3 O c1ccc(cc1)....
57 1AZ8 - IN4 C20 H24 N4 O2 [H]/N=C(c1....
58 1Y3W Ki = 1680 nM UIP C26 H30 N4 O3 CC[C@@H]1[....
59 2BY9 - BAM C7 H9 N2 c1ccc(cc1)....
60 1QB6 Ki = 870 nM 623 C20 H18 F2 N5 O2 [H]/N=C(/c....
61 1O3N - 785 C15 H11 F3 N4 O2 c1cc2c(cc1....
62 3GY3 Kd = 2.36 uM PNT C19 H24 N4 O2 c1cc(ccc1C....
63 3NKK Kd = 20 uM JLZ C8 H9 F N2 [H]/N=C(/c....
64 3GY4 Kd = 8 uM PBZ C7 H10 N3 c1cc(ccc1C....
65 1TNL Ki = 13.3 mM TPA C9 H12 N c1ccc(cc1)....
66 1C2K - ABI C8 H9 N4 c1cc2c(cc1....
67 1V2K Ki = 0.65 uM ZEN C25 H27 Cl N4 O3 S c1cc(cc2c1....
68 1O3J Ki = 0.17 uM 334 C15 H13 Br N4 O Cc1cc(c(c(....
69 2BZA Ki = 1.58 mM ABN C7 H9 N c1ccc(cc1)....
70 2ZDK - 50U C22 H32 N4 O2 [H]/N=C(/c....
71 5MNQ Kd = 3.6 uM J3I C21 H32 N6 O2 [H]/N=C(N)....
72 1C5P Ki = 21 uM BAM C7 H9 N2 c1ccc(cc1)....
73 1K1M Kd = 40 nM FD4 C26 H29 N5 O4 S CC(=O)N1CC....
74 6B6R - BEN C7 H8 N2 [H]/N=C(c1....
75 1MTS - BX3 C27 H30 N4 O3 CC(=N)N1CC....
76 1UTO Kd = 5.32 mM PEA C8 H12 N c1ccc(cc1)....
77 3AAS Ki = 31 uM GUS C11 H14 N4 O3 [H]/N=C(N)....
78 1TNK Ki = 32.5 mM PRA C9 H13 N c1ccc(cc1)....
79 3GY7 Kd = 30 uM BEN C7 H8 N2 [H]/N=C(c1....
80 1O30 Ki = 0.17 uM 693 C24 H17 F N4 O5 c1ccc(c(c1....
81 2BY6 - BAM C7 H9 N2 c1ccc(cc1)....
82 2AGG - SIN ALA ALA PRO LYS n/a n/a
83 6T5W Ki = 47 uM J5K C20 H25 N5 O2 c1ccc(cc1)....
84 3GY5 Kd = 1.8 uM BRN C14 H15 N7 c1cc(ccc1C....
85 1S0R - BEN C7 H8 N2 [H]/N=C(c1....
86 6B6N - BEN C7 H8 N2 [H]/N=C(c1....
87 1C5Q Ki = 0.44 uM ESI C9 H8 I N2 S c1cc2c(cc(....
88 3T25 - BEN C7 H8 N2 [H]/N=C(c1....
89 1GHZ Ki = 16 uM 120 C13 H12 N5 O c1cc2c(cc1....
90 1C5U - ESP C8 H8 N3 S c1cc2cc(sc....
91 1N6X - ABN C7 H9 N c1ccc(cc1)....
92 1O2V Ki = 1.4 uM 847 C18 H13 Br N4 O5 c1cc2c(cc1....
93 1V2Q Ki = 73.62 uM ANH C20 H24 N4 O5 S Cc1ccc(cc1....
94 6SV8 - BEN C7 H8 N2 [H]/N=C(c1....
95 1TNG Ki = 1.17 mM AMC C7 H16 N C1CCC(CC1)....
96 3T26 - BEN C7 H8 N2 [H]/N=C(c1....
97 6FID - BEN C7 H8 N2 [H]/N=C(c1....
98 5MNO Kd = 143 uM MRZ C6 H13 N3 [H]/N=C(N)....
99 4YTA - BEN C7 H8 N2 [H]/N=C(c1....
100 1GI4 Ki = 0.065 uM 122 C14 H13 N4 O c1ccc(c(c1....
101 1BTY - BEN C7 H8 N2 [H]/N=C(c1....
102 1K1P - MEL C22 H31 N5 O4 c1cc(ccc1C....
103 1V2T Ki = 19.56 uM ANH C20 H24 N4 O5 S Cc1ccc(cc1....
104 1O3G Ki = 0.011 uM 696 C21 H17 N3 O c1ccc(cc1)....
105 2TIO - BEN C7 H8 N2 [H]/N=C(c1....
106 1C2D Ki = 0.0052 uM BAK C17 H16 N8 O c1cc2c(cc1....
107 1C1R Ki = 0.0235 uM BAI C16 H14 N6 c1ccc2c(c1....
108 1C2H - BAK C17 H16 N8 O c1cc2c(cc1....
109 1O36 Ki = 1.1 uM 607 C24 H19 N5 O5 c1ccc(c(c1....
110 2BY7 - BAM C7 H9 N2 c1ccc(cc1)....
111 3GY8 Kd = 1.8 uM BRN C14 H15 N7 c1cc(ccc1C....
112 5T3H - BEN C7 H8 N2 [H]/N=C(c1....
113 3ITI ic50 = 0.27 uM BRV C8 H4 Br3 N O4 c1(c(c(c(c....
114 2ZFS - 12U C22 H33 N5 O2 [H]/N=C(/c....
115 3GY6 Kd = 1.8 uM BRN C14 H15 N7 c1cc(ccc1C....
116 1O3L - 678 C17 H13 Br N3 O3 c1cc2c(cc1....
117 1BJU Ki = 6.2 uM GP6 C14 H13 Cl N4 O [H]/N=C(c1....
118 1XUJ Ki < 1 nM BOZ C17 H18 N8 O Zn c1cc2c(cc1....
119 1TX7 Ki = 25 uM 4CM C8 H11 N2 O2 P C[P@](=O)(....
120 6B6O - BEN C7 H8 N2 [H]/N=C(c1....
121 3M35 - M35 C25 H20 F4 N4 O3 S CS(=O)(=O)....
122 1MTU - BX3 C27 H30 N4 O3 CC(=N)N1CC....
123 1O32 Ki = 1.8 uM 801 C13 H11 N5 O c1cc(c(nc1....
124 3T27 - BEN C7 H8 N2 [H]/N=C(c1....
125 5LH4 - 6W4 C32 H34 N6 O2 c1ccc(cc1)....
126 1O2Q Ki = 0.021 uM 991 C20 H20 Cl N3 O2 c1cc(c(c(c....
127 1K1J Kd = 28 nM FD2 C27 H30 N4 O5 S [H]/N=C(/c....
128 5MNN - MRZ C6 H13 N3 [H]/N=C(N)....
129 1C1S - BAB C17 H19 N8 c1cc2c(cc1....
130 1QBO Ki = 18 nM 711 C27 H31 N6 O Cc1[nH]c2c....
131 1V2R Ki = 278.96 uM ANH C20 H24 N4 O5 S Cc1ccc(cc1....
132 1C5R - ESI C9 H8 I N2 S c1cc2c(cc(....
133 6SVV - BEN C7 H8 N2 [H]/N=C(c1....
134 1K1O - IGN C21 H38 N6 O4 C1CCC(CC1)....
135 2ZFT - 10U C20 H29 N5 O2 c1cc(ccc1C....
136 1TIO - BAM C7 H9 N2 c1ccc(cc1)....
137 1V2U Ki = 427 uM BEN C7 H8 N2 [H]/N=C(c1....
138 1MTV - BX3 C27 H30 N4 O3 CC(=N)N1CC....
139 1Y5B Kd = 1.26 uM TL3 C20 H22 N4 O4 c1cc(ccc1C....
140 1G36 Ki = 67 nM R11 C25 H25 N7 [H]/N=C(/c....
141 6SVZ - BEN C7 H8 N2 [H]/N=C(c1....
142 1O2L - 762 C20 H15 Cl N4 O c1ccc(cc1)....
143 1TX8 Ki = 1800 uM AM4 C8 H10 N2 O2 S CS(=O)(=O)....
144 1GI1 Ki = 3.6 uM BMZ C14 H13 N4 O c1ccc(c(c1....
145 1V2W Ki = 97.79 uM ANH C20 H24 N4 O5 S Cc1ccc(cc1....
146 6SV6 - BEN C7 H8 N2 [H]/N=C(c1....
147 1O3H Ki = 0.05 uM 907 C16 H14 Br N3 O Cc1cc(c(c(....
148 4NCY - BEN C7 H8 N2 [H]/N=C(c1....
149 1O35 - 802 C14 H11 F N4 O c1cc2c(cc1....
150 1PPC Ki = 0.69 uM MID C27 H31 N5 O4 S [H]/N=C(/c....
151 1TNI Ki = 0.1 mM PBN C10 H15 N c1ccc(cc1)....
152 6SVU - BEN C7 H8 N2 [H]/N=C(c1....
153 1V2S Ki = 68 uM BEN C7 H8 N2 [H]/N=C(c1....
154 1LQE Ki = 1507 nM IMA C34 H36 N5 O2 C[N+](C)(C....
155 1O2S Ki = 3.4 uM CR4 C14 H12 N4 O c1ccc(c(c1....
156 1O3M - 785 C15 H11 F3 N4 O2 c1cc2c(cc1....
157 6E5M - CYS THR LYS SER ILE PRO PRO GLN CYS n/a n/a
158 1O2X Ki = 1.4 uM 847 C18 H13 Br N4 O5 c1cc2c(cc1....
159 1O38 Ki = 0.15 uM 653 C22 H22 N5 O c1ccc(cc1)....
160 1G3B Ki = 1.8 uM 108 C11 H15 N3 O3 C[C@@H](C(....
161 1BJV Ki = 13 uM GP8 C20 H18 N4 O2 c1ccc(cc1)....
162 1C1P - BAI C16 H14 N6 c1ccc2c(c1....
163 1C2J - BAK C17 H16 N8 O c1cc2c(cc1....
164 1C2F - BAH C17 H18 N8 O2 c1cc2c(cc1....
165 3LJJ Kd = 300 nM 10U C20 H29 N5 O2 c1cc(ccc1C....
166 1O3I Ki = 0.05 uM 907 C16 H14 Br N3 O Cc1cc(c(c(....
167 1Y3V Ki = 2300 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
168 1UTP Kd = 36 mM PBN C10 H15 N c1ccc(cc1)....
169 2BLV - BEN C7 H8 N2 [H]/N=C(c1....
170 6SVG - BEN C7 H8 N2 [H]/N=C(c1....
171 1TNJ Ki = 11 mM PEA C8 H12 N c1ccc(cc1)....
172 3GY2 Kd = 1.8 uM BRN C14 H15 N7 c1cc(ccc1C....
173 6T0M Ki = 39 uM GOZ C20 H26 N6 O2 c1ccc(cc1)....
174 6B6S - BEN C7 H8 N2 [H]/N=C(c1....
175 1O2P - 972 C18 H19 Cl N4 O2 CC(C)COc1c....
176 1K1I Kd = 264 nM FD1 C26 H28 N4 O5 S [H]/N=C(c1....
177 1GJ6 Ki = 0.23 uM 132 C21 H17 Cl N3 O c1ccc(cc1)....
178 3LJO Kd = 239 nM 11U C21 H31 N5 O2 [H]/N=C(/c....
179 1O2Y Ki = 1.4 uM 847 C18 H13 Br N4 O5 c1cc2c(cc1....
180 6SVN - BEN C7 H8 N2 [H]/N=C(c1....
181 1O31 Ki = 1.8 uM 801 C13 H11 N5 O c1cc(c(nc1....
182 2BY5 - BAM C7 H9 N2 c1ccc(cc1)....
183 1XUI - BAO C17 H14 N8 O c1cc2c(cc1....
184 1C5T Ki = 80 uM ESP C8 H8 N3 S c1cc2cc(sc....
185 1EB2 Ki = 16 nM BPO C28 H28 N4 O3 [H]/N=C(c1....
186 6SVB - BEN C7 H8 N2 [H]/N=C(c1....
187 1O2K Ki = 0.12 uM 656 C18 H20 N4 O2 CC(C)COc1c....
188 5LGO - 6VZ C27 H36 N6 O4 CNC(=O)[C@....
189 1GI0 - BMZ C14 H13 N4 O c1ccc(c(c1....
190 1V2P Ki = 18.45 uM ANH C20 H24 N4 O5 S Cc1ccc(cc1....
191 1TPS ic50 = 10 nM OSL DLE THR ARG GLU LEU YNM VAL n/a n/a
192 1N6Y - ABN C7 H9 N c1ccc(cc1)....
193 1O34 Ki = 1.8 uM 801 C13 H11 N5 O c1cc(c(nc1....
194 6SUX - BEN C7 H8 N2 [H]/N=C(c1....
195 2ZDL - 45U C20 H28 N4 O3 [H]/N=C(/c....
196 1PPH Ki = 1.2 uM 0ZG C22 H28 N4 O3 S [H]/N=C(/c....
197 2G5N - 23M C16 H15 N3 [H]/N=C(c1....
198 1G3D Ki = 2.8 uM 108 C11 H15 N3 O3 C[C@@H](C(....
199 5MOO Kd = 48.5 mM WOT C6 H8 N c1ccc(cc1)....
200 1O2U Ki = 1.4 uM 847 C18 H13 Br N4 O5 c1cc2c(cc1....
201 1O2R - CR9 C21 H23 F N4 O2 C[C@H]1CCC....
202 3QK1 - BEN C7 H8 N2 [H]/N=C(c1....
203 6SVX - BEN C7 H8 N2 [H]/N=C(c1....
204 5MNH Kd = 20.7 uM BAM C7 H9 N2 c1ccc(cc1)....
205 6B6P - BEN C7 H8 N2 [H]/N=C(c1....
206 3T29 - BEN C7 H8 N2 [H]/N=C(c1....
207 6EAT - CYS THR LYS SER ILE PRO PRO GLN CYS n/a n/a
208 1O2H Ki = 0.068 uM CR3 C20 H21 N3 O2 c1cc(c(c(c....
209 1QB9 Ki = 36 nM 806 C31 H31 N5 O [H]/N=C(/C....
210 2BLW - BEN C7 H8 N2 [H]/N=C(c1....
211 1O3B Ki = 0.074 uM 780 C20 H16 N4 O c1ccc(cc1)....
212 1O2Z Ki = 0.78 uM 312 C25 H20 N4 O6 COc1ccccc1....
213 1K1L Kd = 125 nM FD3 C24 H27 N5 O3 S [H]/N=C(/c....
214 1O2O Ki = 0.44 uM 950 C18 H19 F N4 O2 CC(C)COc1c....
215 1C1Q - BAI C16 H14 N6 c1ccc2c(c1....
216 1F0U Ki = 69 nM RPR C27 H30 N4 O3 C[C@H]([C@....
217 1C2G - BAH C17 H18 N8 O2 c1cc2c(cc1....
218 1O37 Ki = 0.15 uM 653 C22 H22 N5 O c1ccc(cc1)....
219 1O3F Ki = 0.011 uM 696 C21 H17 N3 O c1ccc(cc1)....
220 1JIR - AML C5 H13 N CCCCCN
221 1O2N Ki = 0.81 uM 762 C20 H15 Cl N4 O c1ccc(cc1)....
222 1O3O - 785 C15 H11 F3 N4 O2 c1cc2c(cc1....
223 1CE5 Ki = 18.4 uM BEN C7 H8 N2 [H]/N=C(c1....
224 5MNB Kd = 3.3 mM 2AP C5 H7 N2 c1cc[nH+]c....
225 6DZF - BEN C7 H8 N2 [H]/N=C(c1....
226 5LH8 - 6WH C31 H38 N6 O3 COc1cc(ccc....
227 2ZHD - 12U C22 H33 N5 O2 [H]/N=C(/c....
228 1O2J Ki = 0.12 uM 656 C18 H20 N4 O2 CC(C)COc1c....
229 1AQ7 ic50 = 0.9 uM 34H DIL XPR AG2 n/a n/a
230 1O3K Ki = 0.17 uM 334 C15 H13 Br N4 O Cc1cc(c(c(....
231 2G5V - 22M C16 H15 N3 [H]/N=C(c1....
232 1Y5U Kd = 0.22 uM TL4 C20 H22 N4 O4 c1cc(cc(c1....
233 6SVI - BEN C7 H8 N2 [H]/N=C(c1....
234 1J8A - BEN C7 H8 N2 [H]/N=C(c1....
235 6B6Q - BEN C7 H8 N2 [H]/N=C(c1....
236 1QB1 Ki = 170 nM 974 C28 H27 F2 N6 O5 Cn1ccnc1c2....
237 1O2W Ki = 1.4 uM 847 C18 H13 Br N4 O5 c1cc2c(cc1....
238 1XUF Ki = 0.09 uM BAZ C17 H16 N8 Zn [H]/N=C(c1....
239 1QBN Ki = 1400 nM 688 C22 H17 N5 O5 c1cc(cc(c1....
240 1O33 Ki = 1.8 uM 801 C13 H11 N5 O c1cc(c(nc1....
241 1V2O Ki = 18.45 uM ANH C20 H24 N4 O5 S Cc1ccc(cc1....
242 1C1N - BAM C7 H9 N2 c1ccc(cc1)....
243 1UTN Kd = 0.321 mM ABN C7 H9 N c1ccc(cc1)....
244 6SVD - BEN C7 H8 N2 [H]/N=C(c1....
245 6T0P Ki = 62 uM M6Q C20 H25 N5 O2 c1ccc(cc1)....
246 6SVW - BEN C7 H8 N2 [H]/N=C(c1....
247 4NA8 Ki = 1.5 nM 1T6 C31 H28 N4 O3 [H]/N=C(/c....
248 5WB6 Ki = 0.02 nM 9ZM C31 H26 Cl F N10 O4 COC(=O)Nc1....
249 5Q0H Ki = 12 nM 9F1 C27 H26 Cl F2 N5 O4 Cc1cc(c(c(....
250 5TKT Ki = 3.2 nM 7DS C28 H26 Cl N9 O4 COC(=O)Nc1....
251 4CRG - J4X C22 H18 N6 O [H]/N=C(c1....
252 5EXL Ki = 3.7 nM 5SS C28 H31 N5 O2 c1ccc(cc1)....
253 6TS5 ic50 = 0.003 uM NW2 C27 H29 N O5 CC(C)c1cc(....
254 6VLU Ki = 149.1 nM R2Y C27 H37 F2 N5 O2 CC(C)C[C@H....
255 5E2O Ki = 2 nM 5JM C26 H21 Cl N6 O4 c1ccc(cc1)....
256 4CRB Ki = 0.027 uM 7P0 C28 H24 Cl N7 O4 c1ccc(cc1)....
257 6TS6 ic50 = 0.004 uM NW5 C27 H26 N2 O4 CC(C)(C#N)....
258 5TKS Ki = 68 nM 7DL C29 H30 Cl2 N8 O3 COC(=O)Nc1....
259 5QTY Ki = 2.5 nM QLJ C32 H33 Cl N8 O5 CCOC(=O)[C....
260 5Q0E Ki = 0.69 nM 9FD C29 H30 Cl N9 O4 C[C@H]1CCC....
261 4CRE - MVN C10 H8 Cl N O CC1=CC(=O)....
262 4CRA Ki = 0.06 uM XJ8 C29 H25 N5 O4 c1ccc(cc1)....
263 1ZHR - BEN C7 H8 N2 [H]/N=C(c1....
264 5E2P Ki = 1.6 nM 7P0 C28 H24 Cl N7 O4 c1ccc(cc1)....
265 3BG8 - BEN C7 H8 N2 [H]/N=C(c1....
266 4X6P Ki = 5 nM 3YU C28 H23 Cl N10 O c1ccc(cc1)....
267 5Q0D Ki = 1 nM 9EY C27 H26 Cl N9 O4 COC(=O)Nc1....
268 4X6O Ki = 1.9 nM 3Y4 C29 H26 Cl2 N8 O3 COC(=O)Nc1....
269 5EXN Ki = 23 nM 5SU C31 H26 Cl N7 O3 COC(=O)Nc1....
270 4CR9 Ki = 80 uM OTW C10 H11 N3 Cc1cc(nc2c....
271 6TS4 ic50 = 2.8 uM J7B C22 H20 N2 O3 c1ccc(c(c1....
272 6USY Ki = 0.0004 uM QGS C28 H28 N2 O4 CC(C)c1cc(....
273 4CRC Ki = 0.0019 uM OTM C26 H21 Cl N10 O2 c1ccc(cc1)....
274 5QCL Ki = 11 nM BUY C27 H21 Cl N6 O4 c1ccc2c(c1....
275 1ZHM - BEN C7 H8 N2 [H]/N=C(c1....
276 5EXM Ki = 6.3 nM 5ST C29 H34 N4 O3 COC(=O)Nc1....
277 4TY7 Ki = 0.3 nM 39F C26 H30 Cl N7 O c1ccc(cc1)....
278 5QTT Ki = 3.4 nM QEY C30 H29 Cl F N7 O4 C[C@@H]1CC....
279 6W50 Ki = 0.3 nM SWP C31 H29 Cl F2 N4 O4 C[C@@H]1CC....
280 5QQP Ki = 5.3 nM NR7 C29 H30 Cl N5 O4 COC(=O)Nc1....
281 6C0S Ki = 89 nM EEJ C31 H31 Cl2 N9 O4 CC(=O)N1CC....
282 4CRF Ki = 0.0005 uM R9B C29 H23 Cl N4 O5 c1ccc(cc1)....
283 5QCN Ki = 6 nM BVM C36 H34 Cl N7 O7 CCOC(=O)[C....
284 6VLV Ki = 5.33 nM R3A C19 H25 Cl N6 O4 S [H]/N=C(/N....
285 5QTV Ki = 1.1 nM QLS C28 H27 Cl F3 N9 O3 COC(=O)Nc1....
286 4X6M Ki = 5.8 nM 3Y3 C27 H26 Cl2 N8 O c1ccc(cc1)....
287 5QTW Ki = 0.46 nM QLM C29 H30 Cl N9 O5 COC(=O)[C@....
288 4CR5 Ki = 70 uM 0TU C9 H6 Cl N O c1cc2c(cc1....
289 4CRD Ki = 0.08 uM OTJ C22 H22 Cl2 N8 O3 COC(=O)Nc1....
290 5QCM Ki = 110 nM BVJ C28 H23 Cl F N7 O4 COC(=O)Nc1....
291 5NB6 ic50 = 0.5 uM 8S2 C22 H21 F3 N6 O4 c1ccc2c(c1....
292 6FTY - E7H C20 H24 N4 O2 c1cc2c(cc(....
293 6QMR ic50 = 0.012 uM J6T C23 H23 N O4 c1ccc(c(c1....
294 5NAW ic50 = 0.05 uM 8RZ C23 H20 F3 N5 O4 c1ccc2c(c1....
295 5MT0 Kd ~ 500 uM QJS C19 H15 F N2 O3 c1ccc(cc1)....
296 6FUG Kd = 50 uM E85 C18 H17 N7 O c1cc(cc(c1....
297 5NAR ic50 = 0.5 uM 8RW C22 H20 F3 N5 O4 c1ccc2c(c1....
298 5FBE ic50 = 14 uM 5W5 C22 H22 F3 N3 O5 COC(=O)c1c....
299 6FUH Kd = 170 uM E88 C20 H23 N5 O2 CC(C)[C@@H....
300 5FBI Kd = 1600 uM 5WD C17 H14 N2 O4 c1cc(cc(c1....
301 6QMT ic50 = 0.12 uM J7B C22 H20 N2 O3 c1ccc(c(c1....
302 6FUT Kd = 20 uM E82 C24 H24 N2 O c1ccc2c(c1....
303 6FUJ ic50 = 120 uM E8B C18 H22 N2 O CC(C)CC(=O....
304 5FCK Kd = 0.006 uM 5WC C23 H22 Cl F N6 O3 C[C@H](c1c....
305 5NB7 ic50 = 0.006 uM 8NQ C21 H19 Br N6 O3 c1ccc2c(c1....
306 5MT4 Kd ~ 500 uM M7O C15 H14 N2 O3 c1ccc(cc1)....
307 5NBA ic50 = 0.05 uM 8S5 C22 H19 F4 N5 O4 c1ccc2c(c1....
308 6FUI Kd = 35 uM E7W C22 H25 N5 O2 c1ccc2c(c1....
309 6FTZ Kd = 1000 uM E7E C17 H16 N4 O2 c1cc(cc(c1....
310 6A8N Ki = 6.8 nM CYS PRO ALA TYR SER ARG TYR ILE GLY CYS n/a n/a
311 1ELC - 0Z3 C26 H34 F3 N4 O3 CC(C)c1ccc....
312 1ELD Ki = 0.2 uM 0Z0 C21 H19 F6 N3 O3 NULL
313 7EST - 0Z2 C18 H21 F6 N3 O3 CC(C)C[C@@....
314 2BD4 - LYS TYR PRO PHE VAL GLU PRO ILE n/a n/a
315 1ELB Ki = 70 nM 0Z4 C23 H36 F3 N4 O3 CC(C)C[C@@....
316 6TH7 ic50 = 1.18 nM O4Q 5XU ABA ILE ABA VAL N9K PHA AA4 n/a n/a
317 1ELE Ki = 0.14 uM 0QN C17 H19 F6 N3 O3 NULL
318 4GVU ic50 = 30 nM 6NA GLN THR DBU GLJ PHE YNM VAL n/a n/a
319 1NES - ACE ALA PRO ALA n/a n/a
320 2BDB - ALA ALA n/a n/a
321 1BMA Ki = 26 uM 0QH C27 H36 F3 N4 O3 NULL
322 2EST - 2Z5 C18 H23 F6 N4 O3 NULL
323 1ELA Ki = 0.44 uM 0Z1 C22 H32 F3 N4 O3 CC(C)c1ccc....
324 1QR3 ic50 = 0.26 uM ALQ CIR THR DBU GLJ PHE TYJ VAL n/a n/a
325 1BIT - BEN C7 H8 N2 [H]/N=C(c1....
326 1HJ8 - BAM C7 H9 N2 c1ccc(cc1)....
327 1UTL Ka = 293 M^-1 PRA C9 H13 N c1ccc(cc1)....
328 2TBS - BEN C7 H8 N2 [H]/N=C(c1....
329 2ZPQ - BEN C7 H8 N2 [H]/N=C(c1....
330 1UTJ Kd = 0.144 mM ABN C7 H9 N c1ccc(cc1)....
331 1UTM Ka = 243 M^-1 PEA C8 H12 N c1ccc(cc1)....
332 1MBQ - BEN C7 H8 N2 [H]/N=C(c1....
333 2ZPS - BEN C7 H8 N2 [H]/N=C(c1....
334 2ZPR - BEN C7 H8 N2 [H]/N=C(c1....
335 1L2E - BEN C7 H8 N2 [H]/N=C(c1....
336 3VFE - 0HL C26 H26 N4 O4 S3 [H]/N=C(c1....
337 6QH9 - J3B C13 H16 N4 O2 [H]/N=C(/c....
338 6QFH ic50 = 1.38 uM J08 C23 H22 N6 O [H]/N=C(/c....
339 6QHB - J2W C15 H15 N3 O3 [H]/N=C(/c....
340 6SKC - BEN C7 H8 N2 [H]/N=C(c1....
341 1LO6 - BEN C7 H8 N2 [H]/N=C(c1....
342 6QFF ic50 = 2.04 uM J08 C23 H22 N6 O [H]/N=C(/c....
343 6QHC - 135 C14 H13 N3 O2 [H]/N=C(c1....
344 4D8N ic50 = 1.8 uM 0HM C24 H24 N5 O2 c1ccc(cc1)....
345 6QFG ic50 = 3.01 uM J08 C23 H22 N6 O [H]/N=C(/c....
346 6QHA - J2Q C16 H17 N3 O3 [H]/N=C(/c....
347 3P8G - BEN C7 H8 N2 [H]/N=C(c1....
348 1EAX - BEN C7 H8 N2 [H]/N=C(c1....
349 2GV6 Ki = 0.046 uM 730 C28 H35 N7 O3 S [H]/N=C(c1....
350 4R0I Ki = 0.3 uM 3KM C27 H33 N5 O4 S [H]/N=C(c1....
351 4O97 Ki = 3 nM NTX C29 H34 N6 O3 [H]/N=C(N)....
352 2GV7 Ki = 0.014 uM 672 C36 H54 N8 O4 S [H]/N=C(c1....
353 4O9V Ki = 10 nM NT4 C27 H30 N6 O3 [H]/N=C(N)....
354 1IAU Ki = 80 nM ACE ILE GLU PRO ASJ n/a n/a
355 1ANE - BEN C7 H8 N2 [H]/N=C(c1....
356 1J16 Ki = 143 uM BEN C7 H8 N2 [H]/N=C(c1....
357 1J14 Ki = 32.2 uM BEN C7 H8 N2 [H]/N=C(c1....
358 1BRA Ki = 15000 uM BEN C7 H8 N2 [H]/N=C(c1....
359 1J15 Ki = 143 uM BEN C7 H8 N2 [H]/N=C(c1....
360 1TRM - BEN C7 H8 N2 [H]/N=C(c1....
361 1J17 Ki = 6.05 uM ZEN C25 H27 Cl N4 O3 S c1cc(cc2c1....
362 1ANC - BEN C7 H8 N2 [H]/N=C(c1....
363 1QL9 Ki = 4.45 uM ZEN C25 H27 Cl N4 O3 S c1cc(cc2c1....
364 1DPO - BEN C7 H8 N2 [H]/N=C(c1....
365 1AND - BEN C7 H8 N2 [H]/N=C(c1....
366 1W0Z Ki = 21 nM SI1 C18 H29 N5 O5 S [H]/N=C(c1....
367 4ZHL Kd = 0.0147 uM CYS PRO ALA TYR SER ARG TYR ILE GLY CYS n/a n/a
368 2VIV ic50 = 520 nM VG2 C22 H28 Cl N3 O2 Cc1cc(cc(c....
369 1SC8 Ki = 0.036 uM 2IN C20 H25 N5 O5 S c1ccc(cc1)....
370 1OWE Ki = 0.631 uM 675 C18 H15 N3 O [H]/N=C(/c....
371 4X1Q - CYS PRO ALA TYR SER ARG TYR LEU ASP CYS n/a n/a
372 2VIP ic50 = 5.2 uM L1R C18 H20 Cl2 N2 O3 CC(C)Oc1cc....
373 5ZAF Ki = 166 nM 28I C16 H21 N7 O2 [H]/N=C(N)....
374 1SQT Ki = 0.63 uM UI3 C16 H16 N4 O3 S [H]/N=C(/c....
375 1W13 Ki = 2 nM SM1 C21 H28 N6 O5 S [H]/N=C(/N....
376 1OWH Ki = 40 nM 239 C19 H18 N4 O [H]/N=C(/c....
377 1EJN Ki = 2.4 uM AGB C19 H27 N5 O [H]/N=C(/N....
378 4ZHM Kd = 0.00081 uM MRZ CYS PRO ALA TYR SER ALA TYR ILE GLY CYS n/a n/a
379 2VIN ic50 > 1 mM 505 C11 H17 N O Cc1cccc(c1....
380 5ZA8 Ki = 508 nM 27I C16 H23 N9 O [H]/N=C(/N....
381 5ZA7 Ki = 1356 nM HMX C12 H18 Cl N7 O C1CCCN(CC1....
382 4X0W - MRZ CYS PRO ALA TYR SER DAL TYR LEU ASP CYS n/a n/a
383 1U6Q - 745 C20 H18 N2 [H]/N=C(/c....
384 5ZA9 Ki = 183 nM 50I C20 H23 N7 O2 [H]/N=C(/N....
385 2VIQ ic50 = 1.3 uM D55 C21 H28 N2 O4 CCOc1ccc(c....
386 4X1P - CYS PRO ALA TYR SER DAL TYR LEU ASP CYS MRZ n/a n/a
387 6NMB Ki = 2.01 mM AMH C8 H15 N O2 C1CC(CCC1C....
388 5ZAG Ki = 108 nM 94I C16 H21 N9 O [H]/N=C(N)....
389 5ZC5 Ki = 88 nM 09I C20 H22 F N7 O2 [H]/N=C(/N....
390 1VJ9 Ki = 0.028 uM 5IN C28 H33 N5 O6 S c1ccc(cc1)....
391 1F5K Ki = 180 uM BAM C7 H9 N2 c1ccc(cc1)....
392 5ZAE Ki = 156 nM EAU C16 H21 N7 O2 [H]/N=C(/N....
393 1OWD Ki = 6.3 nM 497 C23 H24 N4 O CC[C@H]1CN....
394 2VNT Ki = 9.9 nM QGG C15 H16 Cl N5 O4 S c1cc2c(cc1....
395 2VIO ic50 = 40 uM L1O C9 H9 Cl2 N O3 c1c(cc(c(c....
396 1F5L Ki = 5.3 uM AMR C6 H8 Cl N7 O c1(c(nc(c(....
397 5ZAJ Ki = 42 nM 32I C18 H25 N9 O3 [H]/N=C(/N....
398 2R2W Ki = 34 uM 4PG C15 H15 N3 O [H]/N=C(/N....
399 2VIW ic50 = 72 nM D56 C24 H32 Cl N3 O3 CCOc1c(cc(....
400 1W11 Ki = 6 nM SK1 C21 H27 N5 O5 S [H]/N=C(c1....
401 1SQA Ki = 0.00062 uM UI1 C23 H21 N7 O c1cnc(nc1)....
402 1VJA Ki = 0.02 uM 7IN C21 H27 N5 O6 S c1ccc(cc1)....
403 1SQO Ki = 0.035 uM UI2 C15 H13 N5 c1cc2ccc(c....
404 1GDN - GLY ALA LYS n/a n/a
405 1FY5 - GLY ALA LYS n/a n/a
406 1FY4 - GLY ALA ARG n/a n/a
407 1PQ8 - GLY GLY ARG n/a n/a
408 1FN8 - GLY ALA ARG n/a n/a
409 1PQ7 - ARG C6 H15 N4 O2 C(C[C@@H](....
410 1PQ5 - ARG C6 H15 N4 O2 C(C[C@@H](....
411 1H4W Ki = 22 uM BEN C7 H8 N2 [H]/N=C(c1....
412 5TP0 Ki = 3.66 uM BRN C14 H15 N7 c1cc(ccc1C....
413 1T32 Ki = 38 nM OHH C40 H35 N2 O6 P CN(C1CCN(C....
414 4K60 ic50 = 570 uM 1P8 C8 H6 Br N O c1cc2c(cc1....
415 1T31 Ki = 2.3 nM OHH C40 H35 N2 O6 P CN(C1CCN(C....
416 4K5Z - 1P7 C8 H6 Cl N O c1cc2c(cc1....
417 3N7O Ki = 72 nM N7O C19 H15 Cl F2 N O3 P S C[P@@](=O)....
418 3S0N ic50 = 180 nM 0BB C21 H20 N2 O3 S Cc1cccc2c1....
419 5YJM Kd = 0.000000064 M 8W3 C30 H32 Cl N5 O6 CC[C@H](c1....
420 4K2Y ic50 = 470 uM ES2 C8 H6 Cl N O c1cc2c(cc1....
421 5YJP ic50 = 0.24 uM 8W6 C26 H31 Cl N4 O6 CC[C@H](c1....
422 4K69 ic50 = 0.04 uM 1P9 C22 H22 Br N3 O4 CCC[C@@H](....
423 1OSS Ki = 16.4 uM BEN C7 H8 N2 [H]/N=C(c1....
424 3BEU - BEN C7 H8 N2 [H]/N=C(c1....
425 5XWL - ACE THR ARG GLU n/a n/a
426 5XWJ - ACE THR ARG GLU n/a n/a
427 1V6D - PRO ASP AIB LEU AIB LEU ALA TBF NME n/a n/a
428 1YF4 Ki = 5 nM CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 n/a n/a
429 1S6H - 4BZ C8 H10 N2 O [H]/N=C(c1....
430 1S83 - 4HA C4 H12 N O C(CCO)C[NH....
431 1S5S - PG3 C4 H12 N3 O C(CNC(=[NH....
432 5A09 ic50 = 3.5 nM JJD C23 H18 F3 N3 O4 CC1=C([C@H....
433 5A8X ic50 = 6.5 nM IUY C24 H20 F3 N4 O2 CCOC(=O)C1....
434 5ABW ic50 = 17 nM WQQ C26 H24 Cl N3 O5 S Cc1c(c(on1....
435 5A8Y ic50 = 0.17 nM VBM C23 H16 F3 N7 O2 CC1=C([C@H....
436 5A0B ic50 = 5 nM JJX C29 H29 F3 N6 O2 CC1=C([C@H....
437 5A8Z ic50 = 28 nM IUL C21 H16 F3 N5 O2 CN1CC2=C([....
438 3Q77 ic50 = 6 nM 2HY C22 H18 F3 N3 O4 CC1=C([C@H....
439 5A0C ic50 = 0.54 nM JJV C21 H15 F3 N4 O3 S CC1=C([C@H....
440 5A0A Ki = 15 nM JJS C20 H15 F3 N4 O2 CC1=C([C@H....
441 2AIQ - BEN C7 H8 N2 [H]/N=C(c1....
442 2OQ5 - BEN C7 H8 N2 [H]/N=C(c1....
443 5F03 - 5TA C24 H20 Cl N3 O3 c1cc(cc(c1....
444 2ZA5 Ki = 3.7 nM 2FF C26 H24 N2 O3 c1ccc(cc1)....
445 2FPZ Ki = 110 uM 270 C7 H7 N3 C1=CC2=NC(....
446 2BM2 Ki = 15 nM PM2 C26 H29 N3 O c1ccc(cc1)....
447 3V7T Ki = 62 nM 0GX C23 H28 Br F N2 O2 S CCCOc1c(c(....
448 2ZEB - 11M C23 H24 N2 O2 S2 CSc1c2cccc....
449 4A6L Ki = 10 nM P43 C25 H23 F N2 O2 c1ccc(c(c1....
450 2ZEC - 11N C22 H24 N2 O2 c1ccc(cc1)....
451 4NFE - BEN C7 H8 N2 [H]/N=C(c1....
452 2ANW - BAM C7 H9 N2 c1ccc(cc1)....
453 2ANY - BAM C7 H9 N2 c1ccc(cc1)....
454 5TJX - GBT C29 H33 N7 O3 Cc1c2c(cc(....
455 6O1S - 7SD C23 H25 N7 O Cc1cc(nc(c....
456 6T7P Ki = 0.97 uM MU8 C26 H24 Cl N3 O3 c1ccc(cc1)....
457 6QFE ic50 = 0.08 uM J08 C23 H22 N6 O [H]/N=C(/c....
458 6B74 - BEN C7 H8 N2 [H]/N=C(c1....
459 1A0J - BEN C7 H8 N2 [H]/N=C(c1....
460 2ZGJ - SER SER GLY LYS VAL PRO LEU SER n/a n/a
461 2ZGH - SER SER GLY LYS VAL PRO LEU n/a n/a
462 2BDG - PBZ C7 H10 N3 c1cc(ccc1C....
463 5Y9L ic50 = 1.9 uM 8R3 C24 H28 Cl N5 O5 CN(C)/N=C1....
464 5YJK ic50 = 0.82 uM 8VX C24 H30 Cl N5 O5 S CN(C)/N=C1....
465 5FAH ic50 = 0.7 uM 5VT C26 H29 N3 O3 COc1ccc(cc....
466 3TJV - PRO THR SER TYR ALA GLY ASP ASP SER GLY n/a n/a
467 6AHS ic50 = 1.5 uM 9YO C19 H18 Cl N3 O2 S Cc1ccc2c(c....
468 5ZFI ic50 = 1.2 uM 9C9 C26 H29 Cl2 N7 O2 Cn1cc(cn1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BAM; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 BAM 1 1
2 BEN 0.52 0.941176
3 PBZ 0.428571 0.85
Similar Ligands (3D)
Ligand no: 1; Ligand: BAM; Similar ligands found: 1268
No: Ligand Similarity coefficient
1 NIO 1.0000
2 BEZ 1.0000
3 UNU 1.0000
4 BNS 1.0000
5 QSC 1.0000
6 NCA 1.0000
7 PBC 1.0000
8 6PC 1.0000
9 AC0 1.0000
10 PZA 1.0000
11 YCP 1.0000
12 NTN 1.0000
13 VGL 1.0000
14 M58 1.0000
15 BE7 1.0000
16 NBZ 1.0000
17 SS1 1.0000
18 JZ7 0.9968
19 PYC 0.9944
20 C21 0.9940
21 IND 0.9940
22 265 0.9934
23 PRO 0.9933
24 TP5 0.9932
25 SS2 0.9932
26 IT2 0.9919
27 LZ1 0.9917
28 DEN 0.9914
29 BZI 0.9907
30 NPO 0.9904
31 TZC 0.9901
32 0R1 0.9897
33 2PC 0.9894
34 FOA 0.9889
35 JBN 0.9881
36 AMC 0.9881
37 MPI 0.9877
38 BZF 0.9875
39 4JP 0.9870
40 GVH 0.9870
41 GAG 0.9850
42 RSO 0.9846
43 SMV 0.9843
44 NPY 0.9842
45 QUZ 0.9836
46 MRZ 0.9834
47 ISZ 0.9822
48 DPR 0.9818
49 IDM 0.9811
50 PHB 0.9810
51 273 0.9809
52 CFI 0.9803
53 SAL 0.9800
54 5AC 0.9795
55 0CT 0.9793
56 GBD 0.9793
57 HY1 0.9790
58 JAB 0.9786
59 OXQ 0.9778
60 BHO 0.9775
61 FAN 0.9775
62 FEH 0.9772
63 PRS 0.9772
64 ES6 0.9772
65 BE2 0.9772
66 3U4 0.9772
67 HBX 0.9771
68 OAA 0.9769
69 ABN 0.9768
70 SYN 0.9768
71 4SV 0.9761
72 JBE 0.9761
73 PY7 0.9759
74 54D 0.9755
75 JZ5 0.9754
76 7A8 0.9754
77 HBD 0.9750
78 I1E 0.9744
79 PYF 0.9744
80 1Y6 0.9740
81 60P 0.9739
82 3OC 0.9736
83 8GC 0.9734
84 P72 0.9733
85 826 0.9731
86 5HN 0.9731
87 JZ9 0.9728
88 282 0.9726
89 AC6 0.9723
90 PAB 0.9723
91 HLR 0.9719
92 F05 0.9716
93 AX7 0.9716
94 NBE 0.9714
95 J1Z 0.9714
96 MLT 0.9713
97 Z82 0.9713
98 2CK 0.9712
99 3HB 0.9711
100 UGC 0.9711
101 3AB 0.9710
102 270 0.9709
103 9EW 0.9708
104 1PT 0.9706
105 0RW 0.9705
106 VNJ 0.9705
107 NMJ 0.9700
108 6M9 0.9698
109 4CS 0.9698
110 UY7 0.9696
111 1DU 0.9693
112 SW7 0.9692
113 3NT 0.9692
114 MXN 0.9690
115 4MA 0.9689
116 GAB 0.9688
117 NIZ 0.9686
118 6M4 0.9685
119 7WV 0.9684
120 UYA 0.9680
121 14O 0.9678
122 HZP 0.9674
123 SVN 0.9674
124 JKE 0.9672
125 MNN 0.9671
126 2MI 0.9670
127 1DJ 0.9668
128 5H1 0.9666
129 14J 0.9666
130 OVV 0.9665
131 53C 0.9664
132 ABV 0.9662
133 2K4 0.9660
134 WCE 0.9659
135 F60 0.9658
136 HIO 0.9657
137 FBM 0.9657
138 1MR 0.9652
139 3SK 0.9652
140 FPI 0.9650
141 HY3 0.9646
142 FBJ 0.9645
143 HYP 0.9643
144 TFB 0.9643
145 FB2 0.9643
146 1WD 0.9642
147 8EZ 0.9638
148 9CL 0.9637
149 OK7 0.9637
150 6AI 0.9637
151 FQI 0.9634
152 BRT 0.9632
153 49F 0.9629
154 HSM 0.9623
155 174 0.9623
156 PCA 0.9621
157 P92 0.9621
158 5MI 0.9618
159 APY 0.9612
160 F9P 0.9608
161 BZX 0.9608
162 PMB 0.9606
163 DYA 0.9605
164 3BZ 0.9595
165 5MB 0.9594
166 LMR 0.9594
167 CXF 0.9590
168 TPA 0.9589
169 XBT 0.9588
170 3ID 0.9579
171 7WG 0.9577
172 ADE 0.9573
173 XM0 0.9573
174 2RH 0.9571
175 40E 0.9567
176 7N0 0.9563
177 PYJ 0.9562
178 T2C 0.9558
179 IP0 0.9557
180 PHU 0.9553
181 M4T 0.9553
182 0TR 0.9551
183 SRT 0.9546
184 COI 0.9544
185 ZBT 0.9542
186 HPA 0.9538
187 1DQ 0.9537
188 1P3 0.9536
189 JAE 0.9534
190 ASP 0.9532
191 RSF 0.9531
192 TZL 0.9529
193 HBA 0.9529
194 QY9 0.9524
195 FBA 0.9516
196 ASN 0.9515
197 DBH 0.9513
198 11S 0.9511
199 10L 0.9505
200 DMD 0.9504
201 B24 0.9503
202 HHA 0.9503
203 4P5 0.9497
204 BVC 0.9497
205 3F0 0.9495
206 4VP 0.9494
207 3HA 0.9494
208 1WG 0.9493
209 3M0 0.9491
210 ES9 0.9490
211 THE 0.9488
212 GJZ 0.9488
213 NK 0.9486
214 L3Q 0.9484
215 FE DB1 0.9484
216 M6W 0.9483
217 TEO 0.9483
218 PEA 0.9477
219 COU 0.9471
220 PEL 0.9471
221 NXA 0.9470
222 JBK 0.9468
223 BP1 0.9468
224 PZI 0.9463
225 69O 0.9460
226 150 0.9460
227 PKU 0.9457
228 9DA 0.9456
229 URF 0.9456
230 7HP 0.9455
231 KKN 0.9453
232 JB5 0.9453
233 SHA 0.9452
234 271 0.9452
235 PAC 0.9449
236 GYE 0.9449
237 SPA 0.9447
238 NNO 0.9446
239 INO 0.9445
240 67N 0.9440
241 7WA 0.9440
242 4NC 0.9438
243 XX2 0.9438
244 2AQ 0.9438
245 P9P 0.9437
246 H4N 0.9436
247 FCR 0.9436
248 TZE 0.9434
249 K34 0.9432
250 2HO 0.9430
251 03V 0.9428
252 LDU 0.9427
253 NVI 0.9427
254 9HX 0.9427
255 5WV 0.9424
256 FK1 0.9422
257 FHB 0.9422
258 3HM 0.9422
259 ISN 0.9420
260 ES5 0.9420
261 M1A 0.9418
262 HDH 0.9418
263 MYJ 0.9416
264 DHB 0.9416
265 ES7 0.9412
266 1SQ 0.9411
267 PRI 0.9409
268 4A3 0.9406
269 9TW 0.9405
270 4JM 0.9404
271 HSE 0.9403
272 JLZ 0.9402
273 1MC 0.9402
274 TH7 0.9401
275 5SG 0.9401
276 1LQ 0.9397
277 4YS 0.9395
278 1DV 0.9394
279 93K 0.9394
280 TH0 0.9393
281 TLA 0.9393
282 2LP 0.9391
283 WBU 0.9390
284 OCH 0.9389
285 2CQ 0.9389
286 XYL 0.9387
287 RB5 0.9387
288 IQ0 0.9386
289 6MP 0.9386
290 7CZ 0.9386
291 OHG 0.9385
292 J9T 0.9385
293 5Q0 0.9385
294 OTR 0.9384
295 5IQ 0.9384
296 HQY 0.9384
297 4JL 0.9384
298 4FS 0.9383
299 7W4 0.9381
300 268 0.9381
301 XQ0 0.9380
302 GRE 0.9380
303 8NY 0.9379
304 N5J 0.9379
305 BP9 0.9376
306 ES1 0.9376
307 SWD 0.9376
308 MZW 0.9375
309 1P7 0.9375
310 TSU 0.9371
311 173 0.9369
312 KYD 0.9367
313 MAK 0.9366
314 R8A 0.9366
315 XYP 0.9366
316 4XH 0.9366
317 1AB 0.9365
318 JPZ 0.9363
319 NMG 0.9362
320 51F 0.9361
321 SJ5 0.9361
322 HVQ 0.9359
323 TDR 0.9358
324 CEE 0.9358
325 EDG 0.9352
326 DOB 0.9352
327 AHR 0.9352
328 PLQ 0.9351
329 RMN 0.9349
330 45C 0.9348
331 SIN 0.9347
332 CHB 0.9344
333 275 0.9344
334 FUM 0.9344
335 MZ0 0.9344
336 51R 0.9343
337 KOJ 0.9342
338 FA0 0.9341
339 5NU 0.9341
340 WOT 0.9340
341 5B1 0.9338
342 24W 0.9338
343 6M1 0.9338
344 6F0 0.9338
345 BHA 0.9337
346 MWM 0.9337
347 HQE 0.9336
348 QSB 0.9333
349 GUA 0.9333
350 MCT 0.9332
351 HSO 0.9331
352 ORO 0.9331
353 IHB 0.9329
354 ES0 0.9329
355 717 0.9327
356 4ZE 0.9327
357 280 0.9326
358 2ZV 0.9326
359 HCS 0.9324
360 Q88 0.9324
361 ET2 0.9324
362 JYD 0.9324
363 LEU 0.9324
364 JZ3 0.9323
365 RIB 0.9322
366 FPN 0.9320
367 H42 0.9320
368 FBV 0.9318
369 BVG 0.9317
370 KIV 0.9317
371 9X7 0.9316
372 GTQ 0.9316
373 IZC 0.9315
374 2AC 0.9314
375 DAS 0.9312
376 4M0 0.9310
377 FP1 0.9310
378 AL0 0.9308
379 5CU 0.9308
380 SAN 0.9307
381 IFM 0.9307
382 LXC 0.9306
383 98J 0.9306
384 1SA 0.9305
385 45L 0.9305
386 HX2 0.9305
387 3PF 0.9304
388 XCZ 0.9304
389 HH8 0.9304
390 CWM 0.9303
391 23A 0.9303
392 OXZ 0.9303
393 ICP 0.9303
394 PYD 0.9303
395 SD4 0.9302
396 URQ 0.9302
397 1DW 0.9301
398 3DO 0.9301
399 1LN 0.9299
400 2MP 0.9299
401 GRO 0.9298
402 SMN 0.9298
403 FB1 0.9298
404 7MU 0.9297
405 AHB 0.9296
406 DA1 0.9296
407 ITN 0.9296
408 BTE 0.9295
409 7B4 0.9295
410 MRY 0.9294
411 8OZ 0.9294
412 MAE 0.9294
413 C2A 0.9294
414 R2B 0.9293
415 5RG 0.9291
416 ALO 0.9290
417 3SL 0.9290
418 DE5 0.9289
419 RHU 0.9288
420 ES4 0.9288
421 34A 0.9288
422 5M0 0.9288
423 C2B 0.9288
424 0R0 0.9286
425 261 0.9286
426 H8N 0.9285
427 4JT 0.9285
428 OXC 0.9285
429 PBE 0.9284
430 PM6 0.9283
431 DOR 0.9283
432 4JU 0.9282
433 URS 0.9282
434 F4Z 0.9282
435 NYL 0.9282
436 R1X 0.9281
437 1NP 0.9280
438 QDK 0.9279
439 A1U 0.9279
440 069 0.9278
441 IMR 0.9276
442 258 0.9276
443 HMH 0.9275
444 AAS 0.9275
445 PCR 0.9274
446 BSX 0.9273
447 XYD 0.9273
448 DS0 0.9272
449 FPY 0.9272
450 36R 0.9272
451 CLW 0.9272
452 ADZ 0.9272
453 T9G 0.9272
454 9RW 0.9271
455 LG4 0.9269
456 GLU 0.9267
457 G3E 0.9266
458 AZF 0.9265
459 4HO 0.9264
460 RM1 0.9263
461 D48 0.9262
462 IPB 0.9260
463 QWN 0.9259
464 34D 0.9259
465 DTL 0.9258
466 4XR 0.9257
467 4WL 0.9256
468 XBZ 0.9252
469 VGD 0.9252
470 D1X 0.9252
471 AW5 0.9250
472 ES2 0.9250
473 RBL 0.9250
474 ICF 0.9247
475 FBW 0.9247
476 XUL 0.9247
477 SE2 0.9246
478 AC5 0.9246
479 9TZ 0.9246
480 286 0.9244
481 O72 0.9243
482 MLA 0.9242
483 PXY 0.9241
484 5QY 0.9241
485 LT2 0.9239
486 FBS 0.9239
487 HT4 0.9239
488 2D0 0.9239
489 4ZA 0.9238
490 A09 0.9236
491 ROR 0.9235
492 EQT 0.9235
493 1LM 0.9234
494 6CS 0.9234
495 2AL 0.9234
496 QXW 0.9233
497 HIS 0.9232
498 5UC 0.9232
499 2MH 0.9231
500 JZ4 0.9231
501 2EZ 0.9230
502 AMS 0.9229
503 M3H 0.9228
504 FYU 0.9228
505 25R 0.9226
506 4CL 0.9225
507 2CO 0.9223
508 DHS 0.9222
509 5JC 0.9222
510 ILE 0.9221
511 4J8 0.9221
512 K2T 0.9220
513 0V5 0.9219
514 PEQ 0.9219
515 JBH 0.9219
516 TAR 0.9218
517 1P8 0.9217
518 ASC 0.9216
519 J5I 0.9216
520 54G 0.9216
521 FBB 0.9216
522 TC7 0.9216
523 5MK 0.9215
524 R9S 0.9215
525 PIY 0.9212
526 5VM 0.9212
527 DAB 0.9212
528 DHK 0.9212
529 AGK 0.9210
530 2YU 0.9209
531 MLI 0.9208
532 SX1 0.9208
533 IHG 0.9206
534 PEP 0.9205
535 IFP 0.9205
536 L99 0.9204
537 JZ1 0.9203
538 AKG 0.9201
539 PRY 0.9200
540 DCL 0.9198
541 CAQ 0.9197
542 TM7 0.9196
543 GIF 0.9194
544 I4B 0.9194
545 JFJ 0.9193
546 C5J 0.9192
547 DMG 0.9192
548 4JJ 0.9191
549 JA8 0.9189
550 G3H 0.9189
551 G3P 0.9189
552 LCN 0.9188
553 4CH 0.9187
554 5MH 0.9187
555 9YL 0.9185
556 HH5 0.9184
557 MLM 0.9184
558 TIU 0.9181
559 EHM 0.9180
560 VAL 0.9180
561 BEW 0.9180
562 MUC 0.9178
563 DFB 0.9178
564 SNE 0.9176
565 JZ2 0.9176
566 CRN 0.9175
567 IOM 0.9175
568 NOJ 0.9175
569 THR 0.9174
570 2DR 0.9174
571 43M 0.9171
572 CFP 0.9170
573 278 0.9170
574 GUN 0.9170
575 4FA 0.9168
576 PPR 0.9166
577 GOJ 0.9165
578 N4B 0.9164
579 HAI 0.9164
580 DHR 0.9163
581 AEF 0.9163
582 PIM 0.9162
583 SPV 0.9162
584 CYH 0.9161
585 CXL 0.9161
586 H3M 0.9160
587 MZG 0.9160
588 I3A 0.9158
589 YRL 0.9157
590 SYG 0.9156
591 3ZQ 0.9156
592 4HS 0.9155
593 HL5 0.9154
594 SHF 0.9154
595 SKG 0.9154
596 ECE 0.9152
597 ZXD 0.9151
598 PAF 0.9150
599 5OB 0.9149
600 7W1 0.9149
601 5QX 0.9149
602 2IM 0.9148
603 E5X 0.9148
604 GXE 0.9147
605 BZ3 0.9146
606 TTL 0.9144
607 4NM 0.9143
608 BGC 0.9140
609 XAN 0.9137
610 G2F 0.9136
611 93B 0.9135
612 GZ3 0.9135
613 AAE 0.9135
614 GDE 0.9131
615 ASO 0.9130
616 Z6J 0.9128
617 4AA 0.9126
618 XIY 0.9125
619 27Y 0.9125
620 25W 0.9124
621 1M2 0.9123
622 XLS 0.9119
623 BML 0.9119
624 NVA 0.9119
625 ABE 0.9119
626 RBJ 0.9119
627 1XN 0.9118
628 OXE 0.9117
629 OVP 0.9117
630 40O 0.9117
631 J9Q 0.9116
632 HX3 0.9115
633 8K2 0.9113
634 DX4 0.9112
635 XRG 0.9110
636 GLY GLY 0.9110
637 IVA 0.9110
638 259 0.9110
639 K5W 0.9110
640 FW5 0.9109
641 GZL 0.9108
642 23W 0.9108
643 H95 0.9106
644 4JN 0.9105
645 LNR 0.9104
646 ICC 0.9104
647 SVD 0.9103
648 LDP 0.9103
649 V1L 0.9103
650 K7M 0.9103
651 BR9 0.9102
652 6GU 0.9101
653 5XC 0.9101
654 0P6 0.9101
655 NOY 0.9101
656 OVM 0.9101
657 URP 0.9101
658 A2F 0.9100
659 AZA 0.9100
660 7HQ 0.9099
661 6AP 0.9099
662 QOS 0.9099
663 IPH 0.9098
664 R67 0.9097
665 RUU 0.9095
666 P2D 0.9095
667 MWJ 0.9093
668 IGA 0.9093
669 MBN 0.9092
670 S2G 0.9092
671 CWS 0.9092
672 X0V 0.9092
673 FUL 0.9091
674 A13 0.9090
675 9DG 0.9088
676 SKM 0.9087
677 OKG 0.9086
678 HMU 0.9084
679 GLL 0.9083
680 269 0.9083
681 2KT 0.9083
682 8CL 0.9082
683 SEP 0.9082
684 264 0.9080
685 P3K 0.9079
686 FLA 0.9078
687 290 0.9078
688 3AP 0.9077
689 IFL 0.9076
690 449 0.9075
691 2PG 0.9075
692 XSP 0.9075
693 KUF 0.9075
694 HVK 0.9074
695 HHN 0.9074
696 SYV 0.9072
697 FCA 0.9072
698 92Z 0.9072
699 A2Q 0.9071
700 3FH 0.9071
701 EA1 0.9071
702 URA 0.9071
703 RCO 0.9070
704 3PG 0.9069
705 97T 0.9069
706 2AP 0.9068
707 4AP 0.9068
708 3PY 0.9068
709 QMP 0.9068
710 8CM 0.9067
711 GLC 0.9067
712 PXL 0.9066
713 CIZ 0.9065
714 CMS 0.9063
715 LT1 0.9063
716 2FT 0.9062
717 EKZ 0.9061
718 L60 0.9060
719 BOA 0.9060
720 LER 0.9059
721 2BG 0.9059
722 ARB 0.9059
723 DGJ 0.9059
724 XYS 0.9058
725 YH7 0.9057
726 F81 0.9057
727 3HL 0.9056
728 HRZ 0.9055
729 4JO 0.9054
730 3MB 0.9053
731 FP2 0.9053
732 CRS 0.9053
733 12Q 0.9053
734 DFU 0.9052
735 BCP 0.9052
736 HC4 0.9052
737 1AN 0.9052
738 PRA 0.9051
739 3Z8 0.9051
740 AKB 0.9051
741 RIP 0.9050
742 IUR 0.9050
743 6RQ 0.9049
744 ORN 0.9049
745 4NG 0.9048
746 MR1 0.9047
747 G4D 0.9047
748 IV2 0.9047
749 2HG 0.9046
750 3QM 0.9046
751 S76 0.9046
752 PIH 0.9045
753 G6D 0.9045
754 34V 0.9044
755 R9M 0.9044
756 LGA 0.9043
757 2TQ 0.9043
758 DIN 0.9042
759 24B 0.9041
760 A7W 0.9041
761 BVF 0.9041
762 LYL 0.9041
763 CN0 0.9041
764 4MV 0.9040
765 TTO 0.9040
766 3CH 0.9040
767 PNZ 0.9040
768 86J 0.9038
769 0CU 0.9038
770 HPY 0.9038
771 26D 0.9038
772 CSS 0.9036
773 IDH 0.9035
774 141 0.9035
775 DHQ 0.9035
776 2AF 0.9035
777 AMH 0.9034
778 HPS 0.9034
779 NDH 0.9034
780 42A 0.9032
781 ANN 0.9032
782 8LG 0.9031
783 AZG 0.9030
784 SKA 0.9030
785 8H8 0.9029
786 QSH 0.9029
787 KPL 0.9028
788 1XM 0.9027
789 BDP 0.9027
790 HQT 0.9026
791 9TY 0.9026
792 OHP 0.9026
793 4FH 0.9025
794 L89 0.9024
795 FUB 0.9023
796 2CH 0.9022
797 284 0.9022
798 2AS 0.9021
799 PGA 0.9020
800 RNS 0.9020
801 LG3 0.9020
802 92K 0.9019
803 TLD 0.9019
804 SSN 0.9018
805 5GU 0.9017
806 CTL 0.9017
807 ZZ3 0.9016
808 3AL 0.9016
809 SC2 0.9015
810 IF7 0.9014
811 1GP 0.9012
812 2A7 0.9012
813 DGY 0.9011
814 2HQ 0.9011
815 KJH 0.9011
816 KMT 0.9010
817 DMJ 0.9010
818 CYT 0.9008
819 2FY 0.9006
820 HDA 0.9005
821 Q24 0.9005
822 SWA 0.9004
823 BPN 0.9003
824 MT0 0.9003
825 MNM 0.9002
826 2XX 0.9002
827 32X 0.9002
828 VNL 0.9001
829 DUC 0.9000
830 MRW 0.8999
831 SN4 0.8999
832 JZ0 0.8998
833 9PO 0.8995
834 PBA 0.8995
835 MS9 0.8994
836 URC 0.8994
837 FGZ 0.8993
838 MQN 0.8991
839 GG6 0.8990
840 BNF 0.8990
841 TYL 0.8990
842 FA1 0.8990
843 FUC 0.8989
844 0MK 0.8989
845 FBT 0.8989
846 ZZT 0.8988
847 OW4 0.8988
848 FOT 0.8987
849 NSP 0.8986
850 MLE 0.8986
851 76X 0.8985
852 4SX 0.8985
853 KG7 0.8984
854 8GF 0.8984
855 DBX 0.8984
856 HJP 0.8983
857 E7Z 0.8982
858 UNC 0.8980
859 YAN 0.8980
860 8WO 0.8979
861 ODO 0.8978
862 LG5 0.8976
863 HGW 0.8975
864 MWP 0.8974
865 64K 0.8973
866 4BZ 0.8972
867 IOL 0.8972
868 R8V 0.8972
869 0W8 0.8970
870 93Q 0.8970
871 RNT 0.8969
872 MPD 0.8969
873 GLN 0.8968
874 4P0 0.8968
875 3MC 0.8968
876 DGN 0.8966
877 3Z7 0.8966
878 4YO 0.8965
879 47J 0.8965
880 NLE 0.8965
881 KTA 0.8965
882 LZM 0.8964
883 MED 0.8963
884 285 0.8962
885 HIU 0.8960
886 B57 0.8958
887 RAM 0.8957
888 3XX 0.8954
889 SER 0.8953
890 C2U 0.8952
891 0TU 0.8951
892 9MG 0.8951
893 F5B 0.8950
894 82I 0.8949
895 2EC 0.8948
896 MET 0.8947
897 M5K 0.8947
898 GLY ALA 0.8946
899 HHI 0.8946
900 Y8I 0.8946
901 CEJ 0.8945
902 263 0.8945
903 75K 0.8944
904 24T 0.8943
905 G3F 0.8942
906 LEA 0.8940
907 52C 0.8940
908 ABU 0.8938
909 23J 0.8938
910 HHH 0.8937
911 N2Z 0.8937
912 G2H 0.8937
913 5RN 0.8936
914 25T 0.8936
915 PAH 0.8935
916 GGL 0.8935
917 2IT 0.8935
918 4JQ 0.8934
919 JBQ 0.8934
920 HGQ 0.8932
921 PYG 0.8931
922 0HO 0.8931
923 APG 0.8930
924 B85 0.8929
925 4H2 0.8928
926 LGC 0.8927
927 AZ8 0.8926
928 NCT 0.8925
929 KJU 0.8925
930 HYN 0.8925
931 3IT 0.8925
932 FDB 0.8923
933 8ZE 0.8922
934 4Z4 0.8921
935 JIF 0.8918
936 KT7 0.8918
937 0HN 0.8917
938 MEW 0.8917
939 4HC 0.8917
940 IPZ 0.8917
941 AQO 0.8915
942 938 0.8915
943 RJY 0.8914
944 AJ2 0.8914
945 DIU 0.8914
946 XIX 0.8913
947 MZB 0.8913
948 13P 0.8912
949 PE0 0.8912
950 M3T 0.8912
951 9ON 0.8911
952 HEW 0.8908
953 4VY 0.8907
954 BTY 0.8907
955 ABI 0.8906
956 IJZ 0.8906
957 3WA 0.8906
958 LLQ 0.8905
959 O7U 0.8904
960 8S0 0.8902
961 BEA 0.8902
962 X1S 0.8901
963 EDR 0.8900
964 3NY 0.8900
965 LRH 0.8899
966 HTS 0.8899
967 HQJ 0.8896
968 FBU 0.8896
969 B2J 0.8896
970 EXO 0.8895
971 NEQ 0.8893
972 PAE 0.8892
973 IPU 0.8891
974 GCU 0.8891
975 PZM 0.8890
976 ABA 0.8889
977 2A9 0.8889
978 EYK 0.8889
979 XXR 0.8888
980 GMN 0.8887
981 4ZC 0.8886
982 3FA 0.8885
983 Q6T 0.8884
984 FFP 0.8884
985 S0H 0.8883
986 MAN 0.8883
987 B3R 0.8883
988 XAZ 0.8883
989 TMZ 0.8882
990 ADA 0.8880
991 32O 0.8879
992 0OC 0.8879
993 B55 0.8879
994 ADK 0.8879
995 OGA 0.8878
996 FLM 0.8878
997 F9Y 0.8876
998 ACH 0.8874
999 CYS 0.8874
1000 CP 0.8873
1001 GVG 0.8872
1002 GAL 0.8872
1003 KBB 0.8870
1004 KBG 0.8870
1005 SOE 0.8869
1006 2ZM 0.8869
1007 BCU 0.8869
1008 7EX 0.8869
1009 DSN 0.8868
1010 CIG 0.8867
1011 5JQ 0.8865
1012 A29 0.8864
1013 3HP 0.8864
1014 MBD 0.8864
1015 PMF 0.8863
1016 R8S 0.8863
1017 2H5 0.8862
1018 L5V 0.8858
1019 SAF 0.8858
1020 FSG 0.8857
1021 AFR 0.8856
1022 AKH 0.8856
1023 YHO 0.8854
1024 E60 0.8854
1025 SAT 0.8854
1026 HZQ 0.8851
1027 1DH 0.8850
1028 FUF 0.8850
1029 GTR 0.8849
1030 8TX 0.8849
1031 MJ2 0.8849
1032 2C9 0.8849
1033 4XX 0.8848
1034 6X8 0.8848
1035 42J 0.8848
1036 2FG 0.8847
1037 6NT 0.8846
1038 FPK 0.8846
1039 42C 0.8845
1040 QX2 0.8844
1041 ALL 0.8843
1042 C2N 0.8842
1043 G5V 0.8842
1044 GCS 0.8842
1045 2MY 0.8842
1046 GIO 0.8842
1047 M6N 0.8841
1048 QWW 0.8841
1049 DBB 0.8840
1050 495 0.8839
1051 TMT 0.8839
1052 3A9 0.8838
1053 3V4 0.8838
1054 F31 0.8836
1055 XQG 0.8836
1056 8IG 0.8835
1057 2F6 0.8834
1058 H76 0.8834
1059 WOO 0.8834
1060 DQY 0.8833
1061 M2H 0.8831
1062 7MH 0.8831
1063 5JL 0.8831
1064 4HM 0.8830
1065 RAT 0.8828
1066 X05 0.8828
1067 BDF 0.8827
1068 2HU 0.8827
1069 1F1 0.8823
1070 F4E 0.8821
1071 GLA 0.8817
1072 7VD 0.8817
1073 M0W 0.8817
1074 RUY 0.8816
1075 PHE 0.8815
1076 7NI 0.8815
1077 AZ9 0.8814
1078 M1E 0.8813
1079 DBJ 0.8812
1080 FK8 0.8810
1081 0JD 0.8810
1082 8WT 0.8809
1083 6NI 0.8807
1084 J9W 0.8807
1085 SGL 0.8806
1086 HQD 0.8805
1087 MO8 0.8804
1088 AJV 0.8804
1089 ARA 0.8804
1090 FA3 0.8804
1091 PIS 0.8802
1092 5NI 0.8801
1093 DCY 0.8800
1094 F0J 0.8800
1095 B53 0.8800
1096 TGX 0.8798
1097 HXX 0.8798
1098 MSR 0.8798
1099 JXN 0.8797
1100 4XV 0.8796
1101 CTS 0.8795
1102 EUG 0.8792
1103 4M4 0.8792
1104 6OT 0.8792
1105 ICO 0.8791
1106 DGL 0.8790
1107 TM4 0.8789
1108 M2K 0.8789
1109 TB6 0.8788
1110 N8P 0.8787
1111 TAG 0.8787
1112 EV0 0.8787
1113 JAW 0.8786
1114 C1M 0.8785
1115 M45 0.8784
1116 HLZ 0.8784
1117 DTU 0.8782
1118 HHQ 0.8781
1119 BZ2 0.8778
1120 DXX 0.8777
1121 6FZ 0.8776
1122 4HP 0.8775
1123 4SD 0.8774
1124 QIC 0.8774
1125 3CE 0.8773
1126 GAF 0.8771
1127 12M 0.8771
1128 3RK 0.8771
1129 KJY 0.8770
1130 OPE 0.8769
1131 SR1 0.8767
1132 TZF 0.8767
1133 AS3 0.8767
1134 1XX 0.8766
1135 6MH 0.8766
1136 0N7 0.8766
1137 DAL DAL 0.8764
1138 1SP 0.8764
1139 YTB 0.8763
1140 5RO 0.8763
1141 DRL 0.8763
1142 GXL 0.8762
1143 N2I 0.8761
1144 3DM 0.8759
1145 JF6 0.8758
1146 GP9 0.8750
1147 SNU 0.8748
1148 CPZ 0.8748
1149 V55 0.8747
1150 GIV 0.8747
1151 I3E 0.8746
1152 AEG 0.8744
1153 1GN 0.8744
1154 NK2 0.8744
1155 M1Q 0.8742
1156 DEE 0.8742
1157 X6X 0.8742
1158 149 0.8741
1159 9FL 0.8739
1160 J9N 0.8739
1161 MUA 0.8737
1162 15E 0.8736
1163 GXY 0.8734
1164 TEP 0.8734
1165 2CM 0.8733
1166 6TZ 0.8730
1167 IWT 0.8728
1168 7VS 0.8728
1169 4XS 0.8724
1170 329 0.8723
1171 GOO 0.8720
1172 3MH 0.8719
1173 36Y 0.8717
1174 PRZ 0.8717
1175 FUD 0.8716
1176 PCT 0.8711
1177 PPV 0.8711
1178 ICB 0.8711
1179 ESP 0.8711
1180 BMA 0.8709
1181 3R6 0.8706
1182 7VP 0.8703
1183 LSA 0.8700
1184 INS 0.8700
1185 UFV 0.8699
1186 39A 0.8698
1187 PLU 0.8698
1188 6UA 0.8696
1189 9X6 0.8694
1190 GCB 0.8692
1191 SAR 0.8691
1192 R20 0.8691
1193 3MA 0.8690
1194 M0Q 0.8689
1195 T6C 0.8688
1196 BNL 0.8688
1197 GOL 0.8687
1198 6ME 0.8685
1199 WDL 0.8681
1200 2CL 0.8681
1201 2AK 0.8679
1202 XXP 0.8675
1203 5WX 0.8675
1204 13X 0.8672
1205 DUB 0.8670
1206 TSS 0.8669
1207 N3W 0.8663
1208 AX2 0.8661
1209 5AN 0.8661
1210 Z5P 0.8655
1211 DIE 0.8655
1212 RM4 0.8647
1213 37T 0.8646
1214 Q02 0.8645
1215 APZ 0.8645
1216 M1H 0.8644
1217 5ZE 0.8642
1218 9CA 0.8640
1219 NF3 0.8640
1220 SME 0.8639
1221 4ME 0.8638
1222 DQA 0.8637
1223 MPV 0.8636
1224 BR8 0.8635
1225 F12 0.8633
1226 HCI 0.8631
1227 1IT 0.8631
1228 OMD 0.8630
1229 192 0.8630
1230 EVA 0.8627
1231 BUA 0.8626
1232 BAL 0.8626
1233 3AY 0.8626
1234 260 0.8623
1235 1SH 0.8621
1236 4MZ 0.8620
1237 MBG 0.8620
1238 0FO 0.8616
1239 BXO 0.8615
1240 B62 0.8614
1241 OTW 0.8612
1242 BYZ 0.8608
1243 N8Y 0.8605
1244 NQ 0.8603
1245 ATQ 0.8602
1246 MSE 0.8601
1247 6HQ 0.8600
1248 XHP 0.8597
1249 M4S 0.8587
1250 1WC 0.8587
1251 ISE 0.8586
1252 ODV 0.8581
1253 TTY 0.8575
1254 4JC 0.8574
1255 0F9 0.8572
1256 PYZ 0.8567
1257 MSN 0.8567
1258 DQU 0.8560
1259 KSW 0.8560
1260 RXA 0.8556
1261 BAQ 0.8554
1262 1CB 0.8549
1263 QX4 0.8546
1264 FCN 0.8545
1265 TBP 0.8544
1266 PEZ 0.8543
1267 DHY 0.8533
1268 1U6 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SQA; Ligand: UI1; Similar sites found with APoc: 19
This union binding pocket(no: 1) in the query (biounit: 1sqa.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 2EC9 24X 46.5306
2 3VXE DPN PRO ARG 47.3469
3 2A2X NA9 47.3469
4 2A2X NA9 47.3469
5 2ANK N12 47.3469
6 1O0D 163 47.3469
7 1O0D 163 47.3469
8 2FES 3SP 47.3469
9 2FEQ 34P 47.3469
10 2FEQ 34P 47.3469
11 1NZQ 162 47.3469
12 2ANM CDO 47.3469
13 1C4V IH2 47.3469
14 1NFU RRP 48.1633
15 2VH6 GSV 48.1633
16 4BTI 7R9 48.1633
17 1SL3 170 48.5714
18 1ETS MID 48.9796
19 1BHX R56 49.6599
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