Receptor
PDB id Resolution Class Description Source Keywords
4CRE 1.73 Å EC: 3.4.21.27 CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GEN AND STRUCTURE AIDED DRUG DESIGN HOMO SAPIENS HYDROLASE
Ref.: CREATING NOVEL ACTIVATED FACTOR XI INHIBITORS THROU FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DESIGN. PLOS ONE V. 10 13705 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:1480;
A:1478;
A:1483;
A:1481;
A:1482;
A:1477;
A:1479;
A:1484;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
MVN A:1476;
 Valid;
 none;
 submit data
193.63 C10 H8 Cl N O CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5WB6 2.35 Å EC: 3.4.21.27 FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(11S)-11-({ CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)-6-FLU1 ,3,4,10,11,13-HEXAHYDRO-2H-5,9:15,12-DI(AZENO)-1,13- BE NZODIAZACYCLOHEPTADECIN-18-YL]CARBAMATE HOMO SAPIENS HYDROLASE SERINE PROTEASE BLOOD COAGULATION FACTOR PROTEIINHIBITOR COMPLEX HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: MACROCYCLIC FACTOR XIA INHIBITORS. BIOORG. MED. CHEM. LETT. V. 27 4056 2017
Members (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5TKU Ki = 0.16 nM 7DK C28 H28 Cl N9 O4 COC(=O)Nc1....
2 4NA8 Ki = 1.5 nM 1T6 C31 H28 N4 O3 [H]/N=C(/c....
3 5WB6 Ki = 0.02 nM 9ZM C31 H26 Cl F N10 O4 COC(=O)Nc1....
4 5Q0H Ki = 12 nM 9F1 C27 H26 Cl F2 N5 O4 Cc1cc(c(c(....
5 5TKT Ki = 3.2 nM 7DS C28 H26 Cl N9 O4 COC(=O)Nc1....
6 4CRG - J4X C22 H18 N6 O [H]/N=C(c1....
7 5EXL Ki = 3.7 nM 5SS C28 H31 N5 O2 c1ccc(cc1)....
8 6TS5 ic50 = 0.003 uM NW2 C27 H29 N O5 CC(C)c1cc(....
9 6VLU Ki = 149.1 nM R2Y C27 H37 F2 N5 O2 CC(C)C[C@H....
10 5E2O Ki = 2 nM 5JM C26 H21 Cl N6 O4 c1ccc(cc1)....
11 4CRB Ki = 0.027 uM 7P0 C28 H24 Cl N7 O4 c1ccc(cc1)....
12 6TS6 ic50 = 0.004 uM NW5 C27 H26 N2 O4 CC(C)(C#N)....
13 5TKS Ki = 68 nM 7DL C29 H30 Cl2 N8 O3 COC(=O)Nc1....
14 5QTY Ki = 2.5 nM QLJ C32 H33 Cl N8 O5 CCOC(=O)[C....
15 5Q0E Ki = 0.69 nM 9FD C29 H30 Cl N9 O4 C[C@H]1CCC....
16 4CRE - MVN C10 H8 Cl N O CC1=CC(=O)....
17 4CRA Ki = 0.06 uM XJ8 C29 H25 N5 O4 c1ccc(cc1)....
18 1ZHR - BEN C7 H8 N2 [H]/N=C(c1....
19 5E2P Ki = 1.6 nM 7P0 C28 H24 Cl N7 O4 c1ccc(cc1)....
20 3BG8 - BEN C7 H8 N2 [H]/N=C(c1....
21 4X6P Ki = 5 nM 3YU C28 H23 Cl N10 O c1ccc(cc1)....
22 5Q0D Ki = 1 nM 9EY C27 H26 Cl N9 O4 COC(=O)Nc1....
23 4X6O Ki = 1.9 nM 3Y4 C29 H26 Cl2 N8 O3 COC(=O)Nc1....
24 5EXN Ki = 23 nM 5SU C31 H26 Cl N7 O3 COC(=O)Nc1....
25 4CR9 Ki = 80 uM OTW C10 H11 N3 Cc1cc(nc2c....
26 6TS4 ic50 = 2.8 uM J7B C22 H20 N2 O3 c1ccc(c(c1....
27 6USY Ki = 0.0004 uM QGS C28 H28 N2 O4 CC(C)c1cc(....
28 4CRC Ki = 0.0019 uM OTM C26 H21 Cl N10 O2 c1ccc(cc1)....
29 5QCL Ki = 11 nM BUY C27 H21 Cl N6 O4 c1ccc2c(c1....
30 1ZHM - BEN C7 H8 N2 [H]/N=C(c1....
31 5EXM Ki = 6.3 nM 5ST C29 H34 N4 O3 COC(=O)Nc1....
32 4TY7 Ki = 0.3 nM 39F C26 H30 Cl N7 O c1ccc(cc1)....
33 5QTT Ki = 3.4 nM QEY C30 H29 Cl F N7 O4 C[C@@H]1CC....
34 6W50 Ki = 0.3 nM SWP C31 H29 Cl F2 N4 O4 C[C@@H]1CC....
35 5QQP Ki = 5.3 nM NR7 C29 H30 Cl N5 O4 COC(=O)Nc1....
36 6C0S Ki = 89 nM EEJ C31 H31 Cl2 N9 O4 CC(=O)N1CC....
37 4CRF Ki = 0.0005 uM R9B C29 H23 Cl N4 O5 c1ccc(cc1)....
38 5QCN Ki = 6 nM BVM C36 H34 Cl N7 O7 CCOC(=O)[C....
39 6VLV Ki = 5.33 nM R3A C19 H25 Cl N6 O4 S [H]/N=C(/N....
40 5QTV Ki = 1.1 nM QLS C28 H27 Cl F3 N9 O3 COC(=O)Nc1....
41 4X6M Ki = 5.8 nM 3Y3 C27 H26 Cl2 N8 O c1ccc(cc1)....
42 5QTW Ki = 0.46 nM QLM C29 H30 Cl N9 O5 COC(=O)[C@....
43 4CR5 Ki = 70 uM 0TU C9 H6 Cl N O c1cc2c(cc1....
44 4CRD Ki = 0.08 uM OTJ C22 H22 Cl2 N8 O3 COC(=O)Nc1....
45 5QCM Ki = 110 nM BVJ C28 H23 Cl F N7 O4 COC(=O)Nc1....
70% Homology Family (50)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5TKU Ki = 0.16 nM 7DK C28 H28 Cl N9 O4 COC(=O)Nc1....
2 4NA8 Ki = 1.5 nM 1T6 C31 H28 N4 O3 [H]/N=C(/c....
3 5WB6 Ki = 0.02 nM 9ZM C31 H26 Cl F N10 O4 COC(=O)Nc1....
4 5Q0H Ki = 12 nM 9F1 C27 H26 Cl F2 N5 O4 Cc1cc(c(c(....
5 5TKT Ki = 3.2 nM 7DS C28 H26 Cl N9 O4 COC(=O)Nc1....
6 4CRG - J4X C22 H18 N6 O [H]/N=C(c1....
7 5EXL Ki = 3.7 nM 5SS C28 H31 N5 O2 c1ccc(cc1)....
8 6TS5 ic50 = 0.003 uM NW2 C27 H29 N O5 CC(C)c1cc(....
9 6VLU Ki = 149.1 nM R2Y C27 H37 F2 N5 O2 CC(C)C[C@H....
10 5E2O Ki = 2 nM 5JM C26 H21 Cl N6 O4 c1ccc(cc1)....
11 4CRB Ki = 0.027 uM 7P0 C28 H24 Cl N7 O4 c1ccc(cc1)....
12 6TS6 ic50 = 0.004 uM NW5 C27 H26 N2 O4 CC(C)(C#N)....
13 5TKS Ki = 68 nM 7DL C29 H30 Cl2 N8 O3 COC(=O)Nc1....
14 5QTY Ki = 2.5 nM QLJ C32 H33 Cl N8 O5 CCOC(=O)[C....
15 5Q0E Ki = 0.69 nM 9FD C29 H30 Cl N9 O4 C[C@H]1CCC....
16 4CRE - MVN C10 H8 Cl N O CC1=CC(=O)....
17 4CRA Ki = 0.06 uM XJ8 C29 H25 N5 O4 c1ccc(cc1)....
18 1ZHR - BEN C7 H8 N2 [H]/N=C(c1....
19 5E2P Ki = 1.6 nM 7P0 C28 H24 Cl N7 O4 c1ccc(cc1)....
20 3BG8 - BEN C7 H8 N2 [H]/N=C(c1....
21 4X6P Ki = 5 nM 3YU C28 H23 Cl N10 O c1ccc(cc1)....
22 5Q0D Ki = 1 nM 9EY C27 H26 Cl N9 O4 COC(=O)Nc1....
23 4X6O Ki = 1.9 nM 3Y4 C29 H26 Cl2 N8 O3 COC(=O)Nc1....
24 5EXN Ki = 23 nM 5SU C31 H26 Cl N7 O3 COC(=O)Nc1....
25 4CR9 Ki = 80 uM OTW C10 H11 N3 Cc1cc(nc2c....
26 6TS4 ic50 = 2.8 uM J7B C22 H20 N2 O3 c1ccc(c(c1....
27 6USY Ki = 0.0004 uM QGS C28 H28 N2 O4 CC(C)c1cc(....
28 4CRC Ki = 0.0019 uM OTM C26 H21 Cl N10 O2 c1ccc(cc1)....
29 5QCL Ki = 11 nM BUY C27 H21 Cl N6 O4 c1ccc2c(c1....
30 1ZHM - BEN C7 H8 N2 [H]/N=C(c1....
31 5EXM Ki = 6.3 nM 5ST C29 H34 N4 O3 COC(=O)Nc1....
32 4TY7 Ki = 0.3 nM 39F C26 H30 Cl N7 O c1ccc(cc1)....
33 5QTT Ki = 3.4 nM QEY C30 H29 Cl F N7 O4 C[C@@H]1CC....
34 6W50 Ki = 0.3 nM SWP C31 H29 Cl F2 N4 O4 C[C@@H]1CC....
35 5QQP Ki = 5.3 nM NR7 C29 H30 Cl N5 O4 COC(=O)Nc1....
36 6C0S Ki = 89 nM EEJ C31 H31 Cl2 N9 O4 CC(=O)N1CC....
37 4CRF Ki = 0.0005 uM R9B C29 H23 Cl N4 O5 c1ccc(cc1)....
38 5QCN Ki = 6 nM BVM C36 H34 Cl N7 O7 CCOC(=O)[C....
39 6VLV Ki = 5.33 nM R3A C19 H25 Cl N6 O4 S [H]/N=C(/N....
40 5QTV Ki = 1.1 nM QLS C28 H27 Cl F3 N9 O3 COC(=O)Nc1....
41 4X6M Ki = 5.8 nM 3Y3 C27 H26 Cl2 N8 O c1ccc(cc1)....
42 5QTW Ki = 0.46 nM QLM C29 H30 Cl N9 O5 COC(=O)[C@....
43 4CR5 Ki = 70 uM 0TU C9 H6 Cl N O c1cc2c(cc1....
44 4CRD Ki = 0.08 uM OTJ C22 H22 Cl2 N8 O3 COC(=O)Nc1....
45 5QCM Ki = 110 nM BVJ C28 H23 Cl F N7 O4 COC(=O)Nc1....
46 2ANW - BAM C7 H9 N2 c1ccc(cc1)....
47 2ANY - BAM C7 H9 N2 c1ccc(cc1)....
48 5TJX - GBT C29 H33 N7 O3 Cc1c2c(cc(....
49 6O1S - 7SD C23 H25 N7 O Cc1cc(nc(c....
50 6T7P Ki = 0.97 uM MU8 C26 H24 Cl N3 O3 c1ccc(cc1)....
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: MVN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 MVN 1 1
2 2HQ 0.468085 0.625
Similar Ligands (3D)
Ligand no: 1; Ligand: MVN; Similar ligands found: 1034
No: Ligand Similarity coefficient
1 0FO 1.0000
2 OTW 0.9995
3 DQU 0.9993
4 XHP 0.9981
5 B62 0.9981
6 QX4 0.9967
7 44W 0.9952
8 6ME 0.9950
9 PH2 0.9904
10 44V 0.9890
11 2FQ 0.9761
12 HHR 0.9741
13 QBK 0.9736
14 0P6 0.9722
15 AJ2 0.9710
16 PE0 0.9710
17 PRF 0.9707
18 AQO 0.9707
19 XAZ 0.9707
20 KUF 0.9702
21 4JQ 0.9689
22 8CM 0.9686
23 CWS 0.9685
24 0TU 0.9683
25 M6N 0.9683
26 MQN 0.9677
27 2AK 0.9672
28 4HC 0.9672
29 M5K 0.9671
30 CLZ 0.9668
31 4YO 0.9659
32 MUA 0.9657
33 J9W 0.9654
34 Q24 0.9640
35 URC 0.9636
36 M1Q 0.9635
37 9R5 0.9633
38 BTY 0.9618
39 AZ8 0.9618
40 MEW 0.9612
41 N8Y 0.9576
42 3Z8 0.9574
43 FDR 0.9564
44 B55 0.9564
45 INE 0.9561
46 8TX 0.9545
47 KT7 0.9537
48 B5D 0.9530
49 Q71 0.9527
50 6VD 0.9523
51 75K 0.9522
52 DRL 0.9515
53 0N7 0.9506
54 HQD 0.9501
55 2K8 0.9500
56 UFO 0.9498
57 TGX 0.9496
58 20J 0.9496
59 8IG 0.9493
60 BEA 0.9485
61 86J 0.9484
62 PQ0 0.9474
63 2D0 0.9472
64 5JQ 0.9469
65 4MU 0.9469
66 5JL 0.9468
67 APZ 0.9468
68 AJV 0.9467
69 NID 0.9456
70 15E 0.9447
71 Q77 0.9443
72 COU 0.9441
73 NQ 0.9439
74 OCH 0.9436
75 B60 0.9435
76 MO8 0.9433
77 AZ9 0.9432
78 TWO 0.9431
79 VK3 0.9425
80 RXA 0.9425
81 BGC 0.9425
82 MAQ 0.9421
83 HHS 0.9421
84 FBB 0.9418
85 5QY 0.9418
86 K2T 0.9416
87 3QV 0.9408
88 FDB 0.9406
89 9DG 0.9403
90 H42 0.9403
91 D07 0.9400
92 8WO 0.9390
93 FA0 0.9389
94 8WT 0.9388
95 TTL 0.9379
96 4ME 0.9373
97 2AQ 0.9371
98 VXX 0.9371
99 4Z4 0.9370
100 MRW 0.9370
101 ZYR 0.9370
102 G3E 0.9368
103 AZA 0.9366
104 PYQ 0.9365
105 BPU 0.9364
106 JB5 0.9361
107 XAN 0.9360
108 4FS 0.9359
109 DX3 0.9357
110 03V 0.9356
111 D48 0.9351
112 92K 0.9350
113 9MG 0.9350
114 4TU 0.9349
115 GUN 0.9347
116 DIN 0.9346
117 ES5 0.9346
118 3PF 0.9343
119 DOB 0.9342
120 E7Z 0.9337
121 IGA 0.9335
122 GXY 0.9333
123 4M0 0.9332
124 7VS 0.9332
125 M0W 0.9330
126 BDP 0.9324
127 H5B 0.9323
128 ISN 0.9322
129 CH9 0.9322
130 1SQ 0.9321
131 N2I 0.9321
132 DX4 0.9320
133 ZZZ 0.9320
134 SE2 0.9319
135 AJY 0.9317
136 XQ0 0.9317
137 8ZE 0.9317
138 141 0.9313
139 YH7 0.9310
140 M0Q 0.9310
141 ES1 0.9308
142 3HA 0.9308
143 8NX 0.9306
144 1NP 0.9305
145 TT4 0.9302
146 J9T 0.9300
147 24W 0.9300
148 BHA 0.9299
149 5Q0 0.9298
150 ROI 0.9298
151 8MO 0.9295
152 5QX 0.9293
153 GCS 0.9293
154 J5I 0.9290
155 A7W 0.9288
156 0W8 0.9288
157 MS9 0.9286
158 JBH 0.9284
159 DBH 0.9284
160 5IQ 0.9283
161 5SG 0.9282
162 12Q 0.9282
163 2LY 0.9281
164 1LQ 0.9281
165 2KA 0.9280
166 CWM 0.9279
167 KJY 0.9278
168 4YS 0.9277
169 JG8 0.9277
170 2FY 0.9276
171 PXL 0.9276
172 M1H 0.9276
173 KIB 0.9268
174 2EC 0.9268
175 HQY 0.9267
176 ADZ 0.9264
177 Z5P 0.9264
178 KDV 0.9264
179 DPZ 0.9263
180 9KT 0.9263
181 36R 0.9262
182 5OB 0.9262
183 HJP 0.9261
184 B53 0.9261
185 KKN 0.9260
186 GJP 0.9259
187 FE DB1 0.9257
188 PEY 0.9256
189 5RO 0.9255
190 5NE 0.9255
191 JPZ 0.9254
192 94W 0.9254
193 6GU 0.9254
194 1P7 0.9253
195 I3A 0.9253
196 IV2 0.9252
197 VNL 0.9252
198 5WV 0.9251
199 7MU 0.9251
200 5VM 0.9250
201 ET2 0.9249
202 344 0.9249
203 3M0 0.9248
204 JBK 0.9248
205 3F0 0.9247
206 NDM 0.9247
207 G3F 0.9246
208 92P 0.9245
209 1HN 0.9244
210 4XH 0.9243
211 BCP 0.9241
212 1XM 0.9241
213 209 0.9241
214 HH5 0.9241
215 RM1 0.9241
216 2A9 0.9240
217 290 0.9240
218 ES7 0.9240
219 7W4 0.9239
220 EA1 0.9239
221 7ME 0.9239
222 CFP 0.9238
223 A2F 0.9238
224 7ZE 0.9238
225 UNC 0.9237
226 7B3 0.9236
227 7W1 0.9236
228 N5J 0.9235
229 6AP 0.9235
230 QPR 0.9235
231 J6W 0.9235
232 GLC 0.9233
233 C2Y 0.9232
234 8HC 0.9230
235 7B4 0.9228
236 ICO 0.9227
237 CWJ 0.9226
238 2AL 0.9226
239 0FK 0.9225
240 BOA 0.9225
241 KJH 0.9224
242 4RU 0.9223
243 HH8 0.9223
244 32X 0.9222
245 0XT 0.9222
246 1LM 0.9220
247 LI6 0.9217
248 HQT 0.9216
249 3IT 0.9216
250 H33 0.9215
251 ESI 0.9214
252 AZG 0.9213
253 TOF 0.9213
254 ES0 0.9212
255 6NT 0.9212
256 IJZ 0.9211
257 KIA 0.9210
258 8S0 0.9210
259 7HQ 0.9209
260 2ZQ 0.9208
261 3DM 0.9208
262 CLW 0.9207
263 ES2 0.9206
264 AA 0.9202
265 FOT 0.9199
266 VGD 0.9199
267 5WY 0.9199
268 N0Z 0.9198
269 5CU 0.9196
270 KJU 0.9195
271 E7S 0.9195
272 CTL 0.9193
273 39O 0.9191
274 Q6T 0.9191
275 Q88 0.9190
276 SKA 0.9190
277 ORO 0.9190
278 EN1 0.9189
279 UAN 0.9188
280 4M4 0.9188
281 LDR 0.9186
282 5NU 0.9185
283 8W9 0.9185
284 1P8 0.9184
285 GZL 0.9182
286 HMH 0.9181
287 V55 0.9180
288 4JT 0.9179
289 DRG 0.9175
290 DHQ 0.9175
291 PRZ 0.9173
292 LT2 0.9170
293 C9E 0.9166
294 A29 0.9166
295 9FL 0.9166
296 069 0.9166
297 12T 0.9165
298 6RQ 0.9163
299 5RN 0.9163
300 JBQ 0.9163
301 ZVO 0.9162
302 12B 0.9162
303 KYA 0.9162
304 BZ3 0.9161
305 B57 0.9160
306 680 0.9160
307 X8D 0.9158
308 7NI 0.9158
309 0HO 0.9156
310 HLZ 0.9156
311 3ID 0.9156
312 5XC 0.9156
313 PXM 0.9153
314 42C 0.9152
315 OXC 0.9151
316 4AA 0.9150
317 0CU 0.9148
318 Q7A 0.9148
319 XIY 0.9148
320 JTH 0.9146
321 2ZM 0.9143
322 0JD 0.9142
323 5B1 0.9141
324 UEG 0.9141
325 DBJ 0.9140
326 9AP 0.9139
327 NOJ 0.9138
328 3NY 0.9137
329 B56 0.9136
330 F0J 0.9135
331 GZ8 0.9135
332 9CA 0.9134
333 I6G 0.9134
334 52C 0.9132
335 GJS 0.9131
336 NDH 0.9131
337 2F6 0.9131
338 R8V 0.9131
339 HHA 0.9130
340 1KP 0.9130
341 GM7 0.9129
342 ANF 0.9126
343 ODO 0.9126
344 0HN 0.9124
345 6NI 0.9123
346 BZX 0.9123
347 TTY 0.9122
348 JAE 0.9121
349 DIU 0.9121
350 ABI 0.9117
351 DMD 0.9117
352 3WA 0.9117
353 5NI 0.9116
354 1F1 0.9116
355 8H8 0.9115
356 TH7 0.9115
357 CFF 0.9114
358 2HU 0.9112
359 QAT 0.9112
360 37T 0.9112
361 4KL 0.9110
362 0FN 0.9110
363 C2U 0.9109
364 TIY 0.9109
365 QAS 0.9108
366 1IT 0.9107
367 3MB 0.9106
368 SYV 0.9106
369 HKD 0.9105
370 NAG 0.9105
371 SXS 0.9104
372 PDC 0.9104
373 15N 0.9103
374 THA 0.9102
375 GVG 0.9099
376 1M2 0.9097
377 AKH 0.9094
378 BZJ 0.9093
379 1XN 0.9092
380 3A9 0.9090
381 495 0.9090
382 5NS 0.9090
383 LZM 0.9089
384 JU2 0.9087
385 NDG 0.9087
386 KTW 0.9086
387 PJW 0.9086
388 27B 0.9084
389 0F9 0.9084
390 M1E 0.9084
391 FYU 0.9083
392 BK9 0.9082
393 4NC 0.9079
394 42A 0.9078
395 CTS 0.9076
396 GDE 0.9075
397 6BL 0.9074
398 7VJ 0.9073
399 TYL 0.9071
400 MT0 0.9069
401 GAL 0.9069
402 14O 0.9066
403 PX7 0.9063
404 FBG 0.9063
405 OVM 0.9062
406 G5V 0.9062
407 5MI 0.9062
408 8XL 0.9062
409 173 0.9060
410 2BG 0.9059
411 6KT 0.9058
412 JND 0.9057
413 O72 0.9053
414 4VS 0.9053
415 1QP 0.9051
416 OW4 0.9051
417 HQJ 0.9051
418 OA3 0.9050
419 4A3 0.9046
420 GAB 0.9046
421 5H1 0.9045
422 M1A 0.9044
423 5VL 0.9044
424 L22 0.9043
425 E1T 0.9043
426 F2W 0.9043
427 JB8 0.9042
428 TEP 0.9042
429 EQT 0.9040
430 DHB 0.9040
431 67N 0.9039
432 F60 0.9039
433 JDN 0.9037
434 VOH 0.9036
435 4BL 0.9036
436 N7I 0.9036
437 SVN 0.9034
438 6M9 0.9034
439 68A 0.9033
440 0W1 0.9033
441 4V2 0.9030
442 5GU 0.9030
443 MR1 0.9030
444 QUZ 0.9030
445 HLD 0.9030
446 SWA 0.9029
447 4CS 0.9029
448 J9Q 0.9028
449 BPY 0.9026
450 NSP 0.9024
451 2K4 0.9023
452 GTQ 0.9023
453 5WX 0.9023
454 FLV 0.9023
455 6AI 0.9021
456 4BY 0.9019
457 428 0.9018
458 HZQ 0.9017
459 LSA 0.9017
460 NTZ 0.9017
461 INO 0.9016
462 KTJ 0.9016
463 D1X 0.9015
464 XX2 0.9014
465 6CS 0.9014
466 BCU 0.9011
467 SRO 0.9011
468 5MB 0.9010
469 NPY 0.9010
470 DOR 0.9010
471 34D 0.9009
472 3HM 0.9008
473 OQC 0.9007
474 DEE 0.9006
475 HNQ 0.9006
476 ABV 0.9005
477 AW5 0.9005
478 3HB 0.9005
479 E5X 0.9005
480 5RG 0.9004
481 GNM 0.9003
482 8XQ 0.9003
483 SHG 0.9003
484 NNO 0.9002
485 DNA 0.9002
486 SOR 0.9002
487 82I 0.9001
488 LGC 0.9001
489 MYJ 0.8999
490 30G 0.8999
491 2HO 0.8997
492 MWP 0.8996
493 AN3 0.8995
494 FHB 0.8994
495 EV0 0.8992
496 GHM 0.8991
497 93K 0.8990
498 DNF 0.8989
499 226 0.8988
500 F12 0.8988
501 SLS 0.8987
502 K37 0.8986
503 F05 0.8986
504 DHK 0.8986
505 5TY 0.8984
506 AX3 0.8984
507 11S 0.8983
508 ES9 0.8982
509 W81 0.8982
510 IPB 0.8980
511 G1O 0.8980
512 JUG 0.8980
513 F9Y 0.8979
514 WCE 0.8979
515 O2A 0.8978
516 LKA 0.8977
517 7MX 0.8971
518 HA5 0.8970
519 HIS 0.8970
520 SX1 0.8967
521 JAW 0.8967
522 AX7 0.8967
523 9ZE 0.8967
524 SKM 0.8967
525 3J8 0.8966
526 SHA 0.8966
527 JXN 0.8965
528 V1T 0.8964
529 ZZT 0.8964
530 JF2 0.8964
531 54G 0.8963
532 PD2 0.8963
533 DNC 0.8962
534 P9P 0.8960
535 YQA 0.8960
536 CK2 0.8958
537 FK1 0.8958
538 SWD 0.8957
539 PNZ 0.8956
540 EOL 0.8955
541 OVV 0.8955
542 PFB 0.8955
543 5M0 0.8954
544 H4N 0.8954
545 8GC 0.8953
546 X0U 0.8951
547 3AB 0.8950
548 ZZ8 0.8950
549 G12 0.8946
550 HBO 0.8945
551 M5N 0.8945
552 5HN 0.8943
553 SOE 0.8943
554 5MK 0.8942
555 K22 0.8941
556 X05 0.8940
557 UNJ 0.8940
558 97T 0.8939
559 CHB 0.8938
560 39A 0.8938
561 NGA 0.8938
562 HA7 0.8938
563 54X 0.8937
564 5WU 0.8936
565 F31 0.8936
566 BRT 0.8936
567 9TW 0.8935
568 GCU 0.8935
569 3NT 0.8934
570 K32 0.8934
571 EJZ 0.8933
572 EVA 0.8933
573 0RW 0.8932
574 BHO 0.8932
575 BTE 0.8931
576 NCT 0.8930
577 3ZB 0.8929
578 QSB 0.8929
579 CFI 0.8929
580 G6D 0.8926
581 6QF 0.8925
582 BZ2 0.8924
583 ESP 0.8924
584 9TZ 0.8924
585 R9Y 0.8924
586 GTR 0.8922
587 ANN 0.8921
588 ISZ 0.8919
589 HMU 0.8918
590 PHH 0.8918
591 2MI 0.8916
592 E35 0.8916
593 JLZ 0.8916
594 6E8 0.8916
595 JF1 0.8916
596 7WR 0.8915
597 9EW 0.8915
598 NIZ 0.8915
599 ONR 0.8915
600 53C 0.8914
601 I3E 0.8912
602 L5V 0.8911
603 E1K 0.8911
604 2H5 0.8911
605 3FH 0.8910
606 64C 0.8908
607 HLR 0.8906
608 IWT 0.8906
609 A13 0.8903
610 QWN 0.8903
611 LZ2 0.8900
612 6TZ 0.8900
613 EUG 0.8899
614 4V6 0.8897
615 3MG 0.8895
616 F4E 0.8894
617 24B 0.8894
618 X0W 0.8893
619 SAL 0.8892
620 3BZ 0.8891
621 4I8 0.8891
622 HDH 0.8890
623 H7Y 0.8890
624 FGZ 0.8890
625 18N 0.8890
626 CKA 0.8890
627 4SV 0.8890
628 1DW 0.8888
629 TSS 0.8888
630 6M4 0.8883
631 F6P 0.8883
632 270 0.8882
633 AY4 0.8881
634 X09 0.8880
635 HNT 0.8880
636 9UL 0.8880
637 537 0.8879
638 LZB 0.8879
639 28N 0.8879
640 FHC 0.8879
641 25W 0.8879
642 JR2 0.8877
643 10L 0.8876
644 1WG 0.8876
645 HPA 0.8876
646 ESX 0.8875
647 WSD 0.8874
648 3U4 0.8873
649 4FA 0.8872
650 6M1 0.8871
651 293 0.8871
652 ASC 0.8870
653 HHT 0.8870
654 GRE 0.8870
655 4P5 0.8868
656 QQQ 0.8867
657 XM0 0.8867
658 6MP 0.8865
659 B2J 0.8865
660 LDP 0.8864
661 XQG 0.8862
662 PHT 0.8862
663 EGR 0.8861
664 NPO 0.8861
665 8NY 0.8860
666 XXR 0.8860
667 H4E 0.8859
668 GYE 0.8859
669 ICB 0.8857
670 MHK 0.8856
671 2CK 0.8855
672 8OZ 0.8854
673 ANC 0.8854
674 GDL 0.8854
675 PHB 0.8853
676 IHB 0.8852
677 7WV 0.8849
678 JKE 0.8847
679 BE2 0.8847
680 ES6 0.8847
681 0GZ 0.8846
682 K82 0.8846
683 PZI 0.8846
684 AHR 0.8846
685 FBU 0.8845
686 7WA 0.8843
687 F1A 0.8842
688 CPZ 0.8842
689 ASO 0.8840
690 DBX 0.8840
691 GF4 0.8840
692 PBA 0.8839
693 2CQ 0.8837
694 39U 0.8836
695 1A7 0.8834
696 BA5 0.8834
697 PAB 0.8834
698 NGO 0.8834
699 A7H 0.8833
700 APS 0.8833
701 TBS 0.8830
702 YSO 0.8830
703 WOO 0.8830
704 QWW 0.8830
705 KW8 0.8829
706 ADE 0.8827
707 9FE 0.8826
708 EXD 0.8826
709 RMN 0.8826
710 MSR 0.8825
711 549 0.8824
712 8G0 0.8824
713 ALL 0.8824
714 2HC 0.8823
715 9DA 0.8822
716 BP1 0.8821
717 ES4 0.8821
718 1WD 0.8819
719 4AN 0.8818
720 ARP 0.8816
721 4HM 0.8816
722 L99 0.8815
723 3DO 0.8814
724 261 0.8810
725 174 0.8810
726 NSG 0.8809
727 TPA 0.8809
728 Z82 0.8808
729 PFL 0.8808
730 6F0 0.8807
731 6FZ 0.8806
732 4XV 0.8805
733 HX3 0.8805
734 4WL 0.8803
735 9HX 0.8802
736 XM5 0.8801
737 091 0.8801
738 582 0.8801
739 KMY 0.8801
740 NTM 0.8800
741 1X7 0.8798
742 P72 0.8798
743 DPT 0.8796
744 MVL 0.8796
745 PHU 0.8795
746 PHE 0.8794
747 7HP 0.8793
748 BPN 0.8793
749 SNO 0.8792
750 FP1 0.8790
751 GLA 0.8789
752 23A 0.8788
753 150 0.8788
754 6FB 0.8788
755 R20 0.8788
756 PM6 0.8786
757 5VJ 0.8786
758 2GS 0.8784
759 IFP 0.8783
760 5LA 0.8781
761 JXW 0.8780
762 TXW 0.8780
763 FUD 0.8780
764 OVP 0.8777
765 K17 0.8776
766 BMA 0.8775
767 NGT 0.8774
768 NGW 0.8774
769 K6X 0.8773
770 EXO 0.8773
771 3GQ 0.8770
772 S60 0.8770
773 06B 0.8770
774 ZZ3 0.8769
775 3Z7 0.8767
776 149 0.8767
777 67X 0.8766
778 KGK 0.8766
779 UFV 0.8764
780 PIY 0.8764
781 GO2 0.8764
782 AC6 0.8763
783 51R 0.8762
784 LNR 0.8761
785 329 0.8761
786 A2G 0.8761
787 J01 0.8760
788 7VP 0.8760
789 XDE 0.8760
790 BSP 0.8759
791 OW7 0.8759
792 GCB 0.8759
793 7FF 0.8758
794 GIO 0.8758
795 NLA 0.8757
796 NVU 0.8756
797 RPQ 0.8755
798 HBD 0.8754
799 SG2 0.8754
800 GIV 0.8754
801 4ZA 0.8753
802 S76 0.8753
803 DGJ 0.8753
804 FBM 0.8752
805 49O 0.8752
806 4NM 0.8750
807 LQ2 0.8750
808 GCV 0.8750
809 2ZV 0.8749
810 PBZ 0.8749
811 WS7 0.8749
812 FF2 0.8748
813 IAC 0.8748
814 AP4 0.8747
815 SNU 0.8745
816 GV9 0.8743
817 826 0.8742
818 X0V 0.8741
819 0BP 0.8741
820 7I2 0.8741
821 JXZ 0.8740
822 1WC 0.8739
823 3R6 0.8737
824 G2F 0.8737
825 M4E 0.8736
826 TZF 0.8735
827 QXW 0.8735
828 8NB 0.8735
829 RD4 0.8734
830 AIN 0.8733
831 3OC 0.8733
832 BGU 0.8732
833 MT8 0.8732
834 F5B 0.8731
835 K44 0.8730
836 TC7 0.8728
837 4MA 0.8728
838 K25 0.8726
839 F4Z 0.8724
840 4XR 0.8724
841 3RK 0.8724
842 EYK 0.8723
843 3R4 0.8723
844 MAN 0.8723
845 R8S 0.8721
846 259 0.8721
847 EMZ 0.8720
848 3VX 0.8719
849 XXP 0.8719
850 CN0 0.8717
851 1Y6 0.8716
852 IFL 0.8716
853 23J 0.8716
854 KOJ 0.8714
855 4XS 0.8713
856 1GN 0.8713
857 JA8 0.8712
858 GOG 0.8712
859 X11 0.8711
860 JKZ 0.8710
861 SJ5 0.8709
862 RAM 0.8709
863 ZEC 0.8707
864 8GK 0.8706
865 JP2 0.8705
866 4NO 0.8705
867 GCW 0.8704
868 MPV 0.8704
869 A65 0.8703
870 HX4 0.8702
871 AEZ 0.8701
872 45C 0.8700
873 GOX 0.8700
874 DIE 0.8698
875 M2K 0.8697
876 1U6 0.8697
877 64E 0.8696
878 PYD 0.8694
879 2FG 0.8693
880 INS 0.8693
881 A5E 0.8692
882 QIV 0.8692
883 1Z6 0.8691
884 GAF 0.8691
885 KLW 0.8690
886 363 0.8690
887 4NB 0.8690
888 OTD 0.8690
889 SN4 0.8690
890 N91 0.8688
891 S0E 0.8687
892 6OT 0.8685
893 EKZ 0.8681
894 OTR 0.8681
895 GO8 0.8680
896 P3K 0.8680
897 YRL 0.8679
898 F9P 0.8679
899 FBT 0.8678
900 SW7 0.8676
901 FBW 0.8676
902 NOY 0.8676
903 GIM 0.8675
904 717 0.8675
905 OMD 0.8669
906 F69 0.8667
907 MAJ 0.8664
908 RNO 0.8659
909 II6 0.8659
910 CCV 0.8658
911 4ZC 0.8654
912 IUP 0.8653
913 JFD 0.8652
914 XYD 0.8652
915 1XA 0.8652
916 MAG 0.8651
917 HRM 0.8650
918 TH0 0.8642
919 PIM 0.8642
920 1L5 0.8642
921 JBE 0.8641
922 DQN 0.8640
923 R6T 0.8639
924 BNT 0.8638
925 T6C 0.8636
926 GTZ 0.8635
927 CIY 0.8635
928 P92 0.8633
929 878 0.8633
930 JBZ 0.8631
931 2O6 0.8630
932 LT8 0.8630
933 DHC 0.8630
934 BBK 0.8629
935 ADA 0.8629
936 43M 0.8628
937 HTP 0.8628
938 5UC 0.8627
939 JZ2 0.8626
940 DEN 0.8626
941 60Q 0.8625
942 3Y7 0.8624
943 6X9 0.8623
944 4JO 0.8622
945 L7T 0.8621
946 MD6 0.8620
947 M1Z 0.8620
948 Q02 0.8620
949 SYR 0.8619
950 5MH 0.8619
951 FB1 0.8616
952 1AL 0.8614
953 IBF 0.8614
954 ADK 0.8611
955 54Z 0.8610
956 TAG 0.8610
957 H4B 0.8610
958 TDR 0.8609
959 4FH 0.8606
960 2JK 0.8606
961 L46 0.8605
962 K34 0.8605
963 MT5 0.8603
964 GNV 0.8603
965 DA4 0.8602
966 BCF 0.8602
967 BNL 0.8601
968 BIO 0.8600
969 MNS 0.8600
970 XBZ 0.8600
971 FSW 0.8600
972 MCT 0.8598
973 BHQ 0.8598
974 1MC 0.8598
975 DK1 0.8596
976 34A 0.8595
977 4JJ 0.8595
978 SYA 0.8594
979 55D 0.8593
980 KBG 0.8592
981 3BU 0.8592
982 HBI 0.8591
983 H2B 0.8591
984 X6X 0.8590
985 NDD 0.8588
986 2MP 0.8587
987 FAN 0.8587
988 MZG 0.8587
989 BBF 0.8585
990 IUR 0.8581
991 4CL 0.8581
992 H62 0.8581
993 P9E 0.8580
994 ICP 0.8579
995 2AC 0.8579
996 LAO 0.8579
997 QUS 0.8576
998 QBM 0.8575
999 42J 0.8573
1000 WBU 0.8572
1001 JIF 0.8572
1002 1P3 0.8572
1003 4AB 0.8571
1004 4HO 0.8570
1005 JZ3 0.8568
1006 GSY 0.8566
1007 0R0 0.8566
1008 URF 0.8566
1009 2QC 0.8566
1010 GLT 0.8565
1011 AMH 0.8565
1012 HFB 0.8564
1013 0FR 0.8560
1014 0LH 0.8560
1015 86L 0.8560
1016 K5W 0.8558
1017 5CL 0.8557
1018 MWJ 0.8556
1019 3MA 0.8555
1020 27Y 0.8553
1021 BHS 0.8553
1022 4ZE 0.8550
1023 KFH 0.8550
1024 VNJ 0.8546
1025 MWM 0.8544
1026 5JC 0.8539
1027 TLD 0.8533
1028 BR9 0.8532
1029 DMJ 0.8530
1030 MXX 0.8530
1031 505 0.8529
1032 QX2 0.8528
1033 A1U 0.8524
1034 EUE 0.8521
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5WB6; Ligand: 9ZM; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5wb6.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 1NFU RRP 49.5902
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