Receptor
PDB id Resolution Class Description Source Keywords
1GHW 1.75 Å EC: 3.4.21.5 A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-C SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE HOMO SAPIENS THREE-CENTERED VERY SHORT HYDROGEN BOND OXYANION HOLE WATEOF PKA OF HIS57 STRUCTURE-BASED DRUG DESIGN SPECIFICITY UROKINASE TRYPSIN THROMBIN ZN+2-MEDIATED INHIBITION BLOCLOTTING HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT TH SITE J.MOL.BIOL. V. 307 1451 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BMZ H:246;
 Valid;
 none;
 Ki = 4 uM
253.279 C14 H13 N4 O c1ccc...
NA H:409;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UTU 1.55 Å EC: 3.4.21.5 HIGH AFFINITY INHIBITOR OF HUMAN THROMBIN HOMO SAPIENS SERINE PROTEASE BLOOD CLOTTING FIBRINOPEPTIDE A HYDROLASEHYDROLASE INHIBITOR COMPLEX
Ref.: BEYOND HEPARINIZATION: DESIGN OF HIGHLY POTENT THRO INHIBITORS SUITABLE FOR SURFACE COUPLING CHEMMEDCHEM V. 7 1965 2012
Members (84)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 4BAQ Ki = 0.98 nM M4Z C24 H36 N6 O3 [H]/N=C(/c....
2 2C8Z ic50 > 1 mM C2A C7 H8 Cl N c1cc(cc(c1....
3 1C1W - BAH C17 H18 N8 O2 c1cc2c(cc1....
4 4BAH Ki = 2.01 nM MEL C22 H31 N5 O4 c1cc(ccc1C....
5 2C90 ic50 = 330 uM C1M C7 H5 Cl N4 c1cc(ccc1n....
6 6ZUH ic50 = 27 nM N6H C22 H24 Cl N3 O4 CC1(CN(CCO....
7 3SHC Ki = 1.9 uM B01 C20 H23 Cl N4 O2 c1ccc(cc1)....
8 6T3Q Ki = 379 nM M6Q C20 H25 N5 O2 c1ccc(cc1)....
9 3SI3 Ki = 69.3 uM B03 C20 H24 N4 O2 c1ccc(cc1)....
10 4BAM Ki = 1.14 nM MM9 C24 H36 N6 O3 [H]/N=C(/c....
11 4YES Ki = 9.6 nM 45S C19 H23 Cl N4 O2 Cc1ccc([nH....
12 3DUX Ki = 100 nM 64U C21 H30 Cl N3 O2 c1cc(cc(c1....
13 1K22 Ki = 4 nM MEL C22 H31 N5 O4 c1cc(ccc1C....
14 2ZHQ Ki = 0.75 uM 27U C22 H26 N4 O2 [H]/N=C(/c....
15 3HAT - MBN ABN RNG GLY VAL ARG n/a n/a
16 2ZGX Ki = 180 nM 29U C17 H25 N5 O2 [H]/N=C(/c....
17 2ZC9 Ki = 180 nM 22U C21 H24 Cl N3 O2 c1ccc(cc1)....
18 3UTU Ki = 0.012 nM 1TS C32 H34 Cl N7 O6 S [H]/N=C(/c....
19 1G32 Ki = 780 nM R11 C25 H25 N7 [H]/N=C(/c....
20 3F68 Ki = 8.7 uM 91U C23 H32 Cl N3 O3 CC(=O)N[C@....
21 2ZFP Ki = 6.8 uM 19U C16 H22 Cl N3 O2 CC[C@H](C(....
22 1A4W Ki = 1.2 uM QWE C29 H40 N7 O4 S2 CN(C)c1ccc....
23 2ZGB Ki = 0.54 uM 21U C18 H26 Cl N3 O2 CC(C)C[C@H....
24 3SI4 Ki = 132.2 uM B04 C21 H27 N4 O2 C[n+]1cccc....
25 2C8X ic50 = 220 nM C5M C27 H33 Cl N2 O4 S Cc1cc(c(c(....
26 1C5O Ki = 320 uM BAM C7 H9 N2 c1ccc(cc1)....
27 2C8Y - C3M C20 H22 N2 O3 S c1ccc(cc1)....
28 1D4P Ka = 2000000 M^-1 BPP C22 H24 N4 O [H]/N=C(c1....
29 3SHA Ki = 2.6 uM P97 C20 H23 Cl N4 O2 c1ccc(cc1)....
30 6ZUU ic50 = 3900 nM QQN C22 H24 Cl N3 O4 C[C@@H]1CN....
31 2ZNK Ki = 0.02 uM 31U C19 H29 N5 O2 [H]/N=C(/c....
32 3QX5 Ki = 63.5 uM 02P C21 H26 Cl N4 O2 C[n+]1ccc(....
33 4BAK Ki = 1.22 nM M67 C25 H38 N6 O3 [H]/N=C(/c....
34 3P17 Ki = 33.4 uM 99P C20 H24 N4 O2 c1ccc(cc1)....
35 6ZUN ic50 = 10 nM QQ5 C22 H24 Cl N3 O4 C[C@@H]1CN....
36 1GHV Ki = 45 uM 120 C13 H12 N5 O c1cc2c(cc1....
37 1C1U - BAI C16 H14 N6 c1ccc2c(c1....
38 6ZV7 ic50 = 6 nM QQW C24 H28 Cl N3 O5 C[C@@H]1CN....
39 2ZI2 Ki = 5.7 uM 24U C17 H24 N4 O2 [H]/N=C(/c....
40 1QBV Ki = 4100 nM PPX C21 H27 N5 O2 c1ccc(cc1)....
41 3EGK Ki = 22 uM M18 C20 H27 Cl N2 O5 CC(C)(C)OC....
42 1D3P Ka = 24300000 M^-1 BT3 C32 H37 N3 O3 S c1cc(ccc1C....
43 1A2C ic50 = 0.5 uM 34H LEU PRJ OAR n/a n/a
44 6EO9 Ki = 160 nM 2OJ C40 H50 Cl N3 O14 S CC(C)N1CCC....
45 6ZUX ic50 = 4 nM QQE C24 H28 Cl N3 O5 C[C@H]1CN(....
46 3QTV Ki = 22.5 uM 06P C21 H27 N4 O2 C[n+]1ccc(....
47 1AIX - T19 C32 H34 B N3 O6 B([C@H](C(....
48 2ZDA - 32U C22 H28 N5 O2 c1ccc(cc1)....
49 1K21 Ki = 4.2 nM IGN C21 H38 N6 O4 C1CCC(CC1)....
50 4BAN Ki = 2.43 nM M6S C23 H34 N6 O3 [H]/N=C(/c....
51 6ROT Ki = 483.63 nM KDQ C22 H26 Cl N3 O5 S c1ccc(cc1)....
52 6T4A Ki = 140 nM J5K C20 H25 N5 O2 c1ccc(cc1)....
53 1G30 Ki = 140 nM T87 C29 H31 N7 O3 [H]/N=C(/c....
54 6EO8 Ki = 100 nM 2FN C32 H42 Cl N3 O10 S CC(C)N1CCC....
55 1MU6 Ki = 4.2 nM CDA C20 H19 F3 N6 O2 CC1=CN=C(C....
56 1FPC Ki = 0.1 uM 0ZI C25 H39 N6 O3 S NULL
57 6TDT Ki = 1213 nM LXW C26 H28 N4 O2 c1ccc(cc1)....
58 2ZF0 - 51U C22 H27 N3 O2 Cc1cccc(c1....
59 1W7G Ki ~ 13 uM MIU C20 H32 F3 N7 O3 S c1cc(cc(c1....
60 3DHK Ki = 47 nM 23U C27 H28 Cl N3 O2 c1ccc(cc1)....
61 2ZDV - 37U C21 H24 F N3 O2 c1ccc(cc1)....
62 2ZO3 Ki = 0.1 nM 33U C28 H31 N5 O2 [H]/N=C(/c....
63 1NRS - LEU ASP PRO ARG n/a n/a
64 3TU7 Ki = 8.17 nM 0BM C22 H34 N6 O4 S [H]/N=C(N)....
65 6GBW Ki = 3.51 nM EU5 C26 H36 Cl N7 O4 S [H]/N=C(N)....
66 6ZUW ic50 = 0.4 nM QQK C26 H32 Cl N3 O5 CC[C@@H]1C....
67 1KTS Ki = 4.5 nM C24 C27 H29 N7 O3 CCOC(=O)CC....
68 1GHY Ki = 0.008 uM 121 C13 H12 N5 O c1cc(c(nc1....
69 1MU8 Ki = 1 nM CDB C21 H23 F3 N6 O2 Cc1ccnc(c1....
70 1MUE Ki = 2.3 nM CDD C20 H17 Cl F3 N5 O3 c1ccc(c(c1....
71 2C8W ic50 = 3.7 nM C7M C25 H30 Cl N6 O4 S COc1ccc(cc....
72 1O5G Ki = 11 uM CR9 C21 H23 F N4 O2 C[C@H]1CCC....
73 1BCU Kd = 0.53 mM PRL C13 H11 N3 c1cc(cc2c1....
74 3QTO Ki = 74.8 uM 10P C21 H27 N4 O2 C[n+]1cccc....
75 1GHW Ki = 4 uM BMZ C14 H13 N4 O c1ccc(c(c1....
76 1C1V Ki = 0.023 uM BAB C17 H19 N8 c1cc2c(cc1....
77 1TOM Ki = 5 nM MIN C22 H34 N4 O2 CN[C@H](Cc....
78 1KTT ic50 = 1.5 uM C02 C22 H21 N5 O2 S Cn1c2ccc(c....
79 6ZV8 ic50 = 0.7 nM QQT C24 H27 Cl F N3 O5 C[C@H]1CN(....
80 3SV2 Ki = 64 uM P05 C20 H24 N4 O2 c1ccc(cc1)....
81 1O2G Ki = 0.76 uM 696 C21 H17 N3 O c1ccc(cc1)....
82 2C93 ic50 = 12 uM C4M C20 H28 N2 O4 S Cc1cc(c(c(....
83 4LXB ic50 = 7 nM 7R9 C26 H32 Cl F2 N5 O6 S2 CN(C)[C@H]....
84 3QWC Ki = 55.4 uM 98P C21 H26 Cl N4 O2 C[n+]1ccc(....
70% Homology Family (112)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 4BAQ Ki = 0.98 nM M4Z C24 H36 N6 O3 [H]/N=C(/c....
2 2C8Z ic50 > 1 mM C2A C7 H8 Cl N c1cc(cc(c1....
3 1C1W - BAH C17 H18 N8 O2 c1cc2c(cc1....
4 4BAH Ki = 2.01 nM MEL C22 H31 N5 O4 c1cc(ccc1C....
5 2C90 ic50 = 330 uM C1M C7 H5 Cl N4 c1cc(ccc1n....
6 6ZUH ic50 = 27 nM N6H C22 H24 Cl N3 O4 CC1(CN(CCO....
7 3SHC Ki = 1.9 uM B01 C20 H23 Cl N4 O2 c1ccc(cc1)....
8 6T3Q Ki = 379 nM M6Q C20 H25 N5 O2 c1ccc(cc1)....
9 3SI3 Ki = 69.3 uM B03 C20 H24 N4 O2 c1ccc(cc1)....
10 4BAM Ki = 1.14 nM MM9 C24 H36 N6 O3 [H]/N=C(/c....
11 4YES Ki = 9.6 nM 45S C19 H23 Cl N4 O2 Cc1ccc([nH....
12 3DUX Ki = 100 nM 64U C21 H30 Cl N3 O2 c1cc(cc(c1....
13 1K22 Ki = 4 nM MEL C22 H31 N5 O4 c1cc(ccc1C....
14 2ZHQ Ki = 0.75 uM 27U C22 H26 N4 O2 [H]/N=C(/c....
15 3HAT - MBN ABN RNG GLY VAL ARG n/a n/a
16 2ZGX Ki = 180 nM 29U C17 H25 N5 O2 [H]/N=C(/c....
17 2ZC9 Ki = 180 nM 22U C21 H24 Cl N3 O2 c1ccc(cc1)....
18 3UTU Ki = 0.012 nM 1TS C32 H34 Cl N7 O6 S [H]/N=C(/c....
19 1G32 Ki = 780 nM R11 C25 H25 N7 [H]/N=C(/c....
20 3F68 Ki = 8.7 uM 91U C23 H32 Cl N3 O3 CC(=O)N[C@....
21 2ZFP Ki = 6.8 uM 19U C16 H22 Cl N3 O2 CC[C@H](C(....
22 1A4W Ki = 1.2 uM QWE C29 H40 N7 O4 S2 CN(C)c1ccc....
23 2ZGB Ki = 0.54 uM 21U C18 H26 Cl N3 O2 CC(C)C[C@H....
24 3SI4 Ki = 132.2 uM B04 C21 H27 N4 O2 C[n+]1cccc....
25 2C8X ic50 = 220 nM C5M C27 H33 Cl N2 O4 S Cc1cc(c(c(....
26 1C5O Ki = 320 uM BAM C7 H9 N2 c1ccc(cc1)....
27 2C8Y - C3M C20 H22 N2 O3 S c1ccc(cc1)....
28 1D4P Ka = 2000000 M^-1 BPP C22 H24 N4 O [H]/N=C(c1....
29 3SHA Ki = 2.6 uM P97 C20 H23 Cl N4 O2 c1ccc(cc1)....
30 6ZUU ic50 = 3900 nM QQN C22 H24 Cl N3 O4 C[C@@H]1CN....
31 2ZNK Ki = 0.02 uM 31U C19 H29 N5 O2 [H]/N=C(/c....
32 3QX5 Ki = 63.5 uM 02P C21 H26 Cl N4 O2 C[n+]1ccc(....
33 4BAK Ki = 1.22 nM M67 C25 H38 N6 O3 [H]/N=C(/c....
34 3P17 Ki = 33.4 uM 99P C20 H24 N4 O2 c1ccc(cc1)....
35 6ZUN ic50 = 10 nM QQ5 C22 H24 Cl N3 O4 C[C@@H]1CN....
36 1GHV Ki = 45 uM 120 C13 H12 N5 O c1cc2c(cc1....
37 1C1U - BAI C16 H14 N6 c1ccc2c(c1....
38 6ZV7 ic50 = 6 nM QQW C24 H28 Cl N3 O5 C[C@@H]1CN....
39 2ZI2 Ki = 5.7 uM 24U C17 H24 N4 O2 [H]/N=C(/c....
40 1QBV Ki = 4100 nM PPX C21 H27 N5 O2 c1ccc(cc1)....
41 3EGK Ki = 22 uM M18 C20 H27 Cl N2 O5 CC(C)(C)OC....
42 1D3P Ka = 24300000 M^-1 BT3 C32 H37 N3 O3 S c1cc(ccc1C....
43 1A2C ic50 = 0.5 uM 34H LEU PRJ OAR n/a n/a
44 6EO9 Ki = 160 nM 2OJ C40 H50 Cl N3 O14 S CC(C)N1CCC....
45 6ZUX ic50 = 4 nM QQE C24 H28 Cl N3 O5 C[C@H]1CN(....
46 3QTV Ki = 22.5 uM 06P C21 H27 N4 O2 C[n+]1ccc(....
47 1AIX - T19 C32 H34 B N3 O6 B([C@H](C(....
48 2ZDA - 32U C22 H28 N5 O2 c1ccc(cc1)....
49 1K21 Ki = 4.2 nM IGN C21 H38 N6 O4 C1CCC(CC1)....
50 4BAN Ki = 2.43 nM M6S C23 H34 N6 O3 [H]/N=C(/c....
51 6ROT Ki = 483.63 nM KDQ C22 H26 Cl N3 O5 S c1ccc(cc1)....
52 6T4A Ki = 140 nM J5K C20 H25 N5 O2 c1ccc(cc1)....
53 1G30 Ki = 140 nM T87 C29 H31 N7 O3 [H]/N=C(/c....
54 6EO8 Ki = 100 nM 2FN C32 H42 Cl N3 O10 S CC(C)N1CCC....
55 1MU6 Ki = 4.2 nM CDA C20 H19 F3 N6 O2 CC1=CN=C(C....
56 1FPC Ki = 0.1 uM 0ZI C25 H39 N6 O3 S NULL
57 6TDT Ki = 1213 nM LXW C26 H28 N4 O2 c1ccc(cc1)....
58 2ZF0 - 51U C22 H27 N3 O2 Cc1cccc(c1....
59 1W7G Ki ~ 13 uM MIU C20 H32 F3 N7 O3 S c1cc(cc(c1....
60 3DHK Ki = 47 nM 23U C27 H28 Cl N3 O2 c1ccc(cc1)....
61 2ZDV - 37U C21 H24 F N3 O2 c1ccc(cc1)....
62 2ZO3 Ki = 0.1 nM 33U C28 H31 N5 O2 [H]/N=C(/c....
63 1NRS - LEU ASP PRO ARG n/a n/a
64 3TU7 Ki = 8.17 nM 0BM C22 H34 N6 O4 S [H]/N=C(N)....
65 6GBW Ki = 3.51 nM EU5 C26 H36 Cl N7 O4 S [H]/N=C(N)....
66 6ZUW ic50 = 0.4 nM QQK C26 H32 Cl N3 O5 CC[C@@H]1C....
67 1KTS Ki = 4.5 nM C24 C27 H29 N7 O3 CCOC(=O)CC....
68 1GHY Ki = 0.008 uM 121 C13 H12 N5 O c1cc(c(nc1....
69 1MU8 Ki = 1 nM CDB C21 H23 F3 N6 O2 Cc1ccnc(c1....
70 1MUE Ki = 2.3 nM CDD C20 H17 Cl F3 N5 O3 c1ccc(c(c1....
71 2C8W ic50 = 3.7 nM C7M C25 H30 Cl N6 O4 S COc1ccc(cc....
72 1O5G Ki = 11 uM CR9 C21 H23 F N4 O2 C[C@H]1CCC....
73 1BCU Kd = 0.53 mM PRL C13 H11 N3 c1cc(cc2c1....
74 3QTO Ki = 74.8 uM 10P C21 H27 N4 O2 C[n+]1cccc....
75 1GHW Ki = 4 uM BMZ C14 H13 N4 O c1ccc(c(c1....
76 1C1V Ki = 0.023 uM BAB C17 H19 N8 c1cc2c(cc1....
77 1TOM Ki = 5 nM MIN C22 H34 N4 O2 CN[C@H](Cc....
78 1KTT ic50 = 1.5 uM C02 C22 H21 N5 O2 S Cn1c2ccc(c....
79 6ZV8 ic50 = 0.7 nM QQT C24 H27 Cl F N3 O5 C[C@H]1CN(....
80 3SV2 Ki = 64 uM P05 C20 H24 N4 O2 c1ccc(cc1)....
81 1O2G Ki = 0.76 uM 696 C21 H17 N3 O c1ccc(cc1)....
82 2C93 ic50 = 12 uM C4M C20 H28 N2 O4 S Cc1cc(c(c(....
83 4LXB ic50 = 7 nM 7R9 C26 H32 Cl F2 N5 O6 S2 CN(C)[C@H]....
84 3QWC Ki = 55.4 uM 98P C21 H26 Cl N4 O2 C[n+]1ccc(....
85 1D3D Ka = 1240000000 M^-1 BZT C32 H35 Br N2 O2 S c1cc(ccc1c....
86 4UFG - D6J C29 H35 N5 O4 S CC[C@@H](C....
87 5AFZ Kd = 0.16 uM UET C26 H29 N5 O4 S c1ccc(cc1)....
88 4UE7 Kd = 107 uM MRZ C6 H13 N3 [H]/N=C(N)....
89 3BIU - 10U C20 H29 N5 O2 c1cc(ccc1C....
90 4UFF - 6V2 C27 H31 N5 O4 S [H]/N=C(c1....
91 5AHG - Y4L C8 H11 Cl N2 O2 S CN(C)S(=O)....
92 3BIV - 11U C21 H31 N5 O2 [H]/N=C(/c....
93 4AX9 Ki = 0.00027 uM N5N C26 H34 N6 O6 S [H]/N=C(/N....
94 4UEH Kd = 355 uM BEN C7 H8 N2 [H]/N=C(c1....
95 4UFD - S49 C29 H33 N5 O4 S [H]/N=C(/c....
96 2V3O - I26 C24 H33 F N4 O3 [H]/N=C(/c....
97 5AF9 Kd = 1003 uM SJR C13 H12 N2 O2 COc1ccc(cc....
98 4UD9 Kd = 475 uM FQI C5 H4 Cl N O S c1cc(sc1C(....
99 1T4U - 81A C20 H25 N3 O7 S2 [H]/N=C(N)....
100 2R2M Ki = 47.1 nM I50 C19 H21 Cl F3 N5 O2 [H]/N=C(/N....
101 5AFY - WCE C7 H6 Cl N O c1cc(cc(c1....
102 6ZUG ic50 = 12 nM QPW C24 H28 Cl N3 O4 CCCN(C[C@@....
103 1T4V Ki = 0.021 uM 14A C19 H27 Cl N4 O3 C=CCN(C1CC....
104 4UFE - 3ZD C27 H31 N5 O4 S [H]/N=C(c1....
105 4UDW Kd = 0.27 uM N6L C21 H23 Cl2 N3 O2 c1ccc(cc1)....
106 2CF8 Ki = 0.008 uM ESH C26 H31 Cl N4 O [H]/N=C(c1....
107 2CF9 Ki = 0.015 uM 348 C27 H34 N4 O2 [H]/N=C(c1....
108 1VZQ Ki = 36 nM SHY C24 H24 N4 O5 [H]/N=C(c1....
109 1C4V Ki = 0.016 nM IH2 C30 H36 N6 O3 [H]/N=C(C1....
110 2V3H - I25 C24 H34 N4 O3 [H]/N=C(/c....
111 2CN0 Ki = 22 nM F25 C24 H27 F3 N4 O c1cc(ccc1C....
112 1OYT Ki = 0.057 uM FSN C23 H24 F N4 O2 c1cc(ccc1C....
50% Homology Family (115)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 4BAQ Ki = 0.98 nM M4Z C24 H36 N6 O3 [H]/N=C(/c....
2 2C8Z ic50 > 1 mM C2A C7 H8 Cl N c1cc(cc(c1....
3 1C1W - BAH C17 H18 N8 O2 c1cc2c(cc1....
4 4BAH Ki = 2.01 nM MEL C22 H31 N5 O4 c1cc(ccc1C....
5 2C90 ic50 = 330 uM C1M C7 H5 Cl N4 c1cc(ccc1n....
6 6ZUH ic50 = 27 nM N6H C22 H24 Cl N3 O4 CC1(CN(CCO....
7 3SHC Ki = 1.9 uM B01 C20 H23 Cl N4 O2 c1ccc(cc1)....
8 6T3Q Ki = 379 nM M6Q C20 H25 N5 O2 c1ccc(cc1)....
9 3SI3 Ki = 69.3 uM B03 C20 H24 N4 O2 c1ccc(cc1)....
10 4BAM Ki = 1.14 nM MM9 C24 H36 N6 O3 [H]/N=C(/c....
11 4YES Ki = 9.6 nM 45S C19 H23 Cl N4 O2 Cc1ccc([nH....
12 3DUX Ki = 100 nM 64U C21 H30 Cl N3 O2 c1cc(cc(c1....
13 1K22 Ki = 4 nM MEL C22 H31 N5 O4 c1cc(ccc1C....
14 2ZHQ Ki = 0.75 uM 27U C22 H26 N4 O2 [H]/N=C(/c....
15 3HAT - MBN ABN RNG GLY VAL ARG n/a n/a
16 2ZGX Ki = 180 nM 29U C17 H25 N5 O2 [H]/N=C(/c....
17 2ZC9 Ki = 180 nM 22U C21 H24 Cl N3 O2 c1ccc(cc1)....
18 3UTU Ki = 0.012 nM 1TS C32 H34 Cl N7 O6 S [H]/N=C(/c....
19 1G32 Ki = 780 nM R11 C25 H25 N7 [H]/N=C(/c....
20 3F68 Ki = 8.7 uM 91U C23 H32 Cl N3 O3 CC(=O)N[C@....
21 2ZFP Ki = 6.8 uM 19U C16 H22 Cl N3 O2 CC[C@H](C(....
22 1A4W Ki = 1.2 uM QWE C29 H40 N7 O4 S2 CN(C)c1ccc....
23 2ZGB Ki = 0.54 uM 21U C18 H26 Cl N3 O2 CC(C)C[C@H....
24 3SI4 Ki = 132.2 uM B04 C21 H27 N4 O2 C[n+]1cccc....
25 2C8X ic50 = 220 nM C5M C27 H33 Cl N2 O4 S Cc1cc(c(c(....
26 1C5O Ki = 320 uM BAM C7 H9 N2 c1ccc(cc1)....
27 2C8Y - C3M C20 H22 N2 O3 S c1ccc(cc1)....
28 1D4P Ka = 2000000 M^-1 BPP C22 H24 N4 O [H]/N=C(c1....
29 3SHA Ki = 2.6 uM P97 C20 H23 Cl N4 O2 c1ccc(cc1)....
30 6ZUU ic50 = 3900 nM QQN C22 H24 Cl N3 O4 C[C@@H]1CN....
31 2ZNK Ki = 0.02 uM 31U C19 H29 N5 O2 [H]/N=C(/c....
32 3QX5 Ki = 63.5 uM 02P C21 H26 Cl N4 O2 C[n+]1ccc(....
33 4BAK Ki = 1.22 nM M67 C25 H38 N6 O3 [H]/N=C(/c....
34 3P17 Ki = 33.4 uM 99P C20 H24 N4 O2 c1ccc(cc1)....
35 6ZUN ic50 = 10 nM QQ5 C22 H24 Cl N3 O4 C[C@@H]1CN....
36 1GHV Ki = 45 uM 120 C13 H12 N5 O c1cc2c(cc1....
37 1C1U - BAI C16 H14 N6 c1ccc2c(c1....
38 6ZV7 ic50 = 6 nM QQW C24 H28 Cl N3 O5 C[C@@H]1CN....
39 2ZI2 Ki = 5.7 uM 24U C17 H24 N4 O2 [H]/N=C(/c....
40 1QBV Ki = 4100 nM PPX C21 H27 N5 O2 c1ccc(cc1)....
41 3EGK Ki = 22 uM M18 C20 H27 Cl N2 O5 CC(C)(C)OC....
42 1D3P Ka = 24300000 M^-1 BT3 C32 H37 N3 O3 S c1cc(ccc1C....
43 1A2C ic50 = 0.5 uM 34H LEU PRJ OAR n/a n/a
44 6EO9 Ki = 160 nM 2OJ C40 H50 Cl N3 O14 S CC(C)N1CCC....
45 6ZUX ic50 = 4 nM QQE C24 H28 Cl N3 O5 C[C@H]1CN(....
46 3QTV Ki = 22.5 uM 06P C21 H27 N4 O2 C[n+]1ccc(....
47 1AIX - T19 C32 H34 B N3 O6 B([C@H](C(....
48 2ZDA - 32U C22 H28 N5 O2 c1ccc(cc1)....
49 1K21 Ki = 4.2 nM IGN C21 H38 N6 O4 C1CCC(CC1)....
50 4BAN Ki = 2.43 nM M6S C23 H34 N6 O3 [H]/N=C(/c....
51 6ROT Ki = 483.63 nM KDQ C22 H26 Cl N3 O5 S c1ccc(cc1)....
52 6T4A Ki = 140 nM J5K C20 H25 N5 O2 c1ccc(cc1)....
53 1G30 Ki = 140 nM T87 C29 H31 N7 O3 [H]/N=C(/c....
54 6EO8 Ki = 100 nM 2FN C32 H42 Cl N3 O10 S CC(C)N1CCC....
55 1MU6 Ki = 4.2 nM CDA C20 H19 F3 N6 O2 CC1=CN=C(C....
56 1FPC Ki = 0.1 uM 0ZI C25 H39 N6 O3 S NULL
57 6TDT Ki = 1213 nM LXW C26 H28 N4 O2 c1ccc(cc1)....
58 2ZF0 - 51U C22 H27 N3 O2 Cc1cccc(c1....
59 1W7G Ki ~ 13 uM MIU C20 H32 F3 N7 O3 S c1cc(cc(c1....
60 3DHK Ki = 47 nM 23U C27 H28 Cl N3 O2 c1ccc(cc1)....
61 2ZDV - 37U C21 H24 F N3 O2 c1ccc(cc1)....
62 2ZO3 Ki = 0.1 nM 33U C28 H31 N5 O2 [H]/N=C(/c....
63 1NRS - LEU ASP PRO ARG n/a n/a
64 3TU7 Ki = 8.17 nM 0BM C22 H34 N6 O4 S [H]/N=C(N)....
65 6GBW Ki = 3.51 nM EU5 C26 H36 Cl N7 O4 S [H]/N=C(N)....
66 6ZUW ic50 = 0.4 nM QQK C26 H32 Cl N3 O5 CC[C@@H]1C....
67 1KTS Ki = 4.5 nM C24 C27 H29 N7 O3 CCOC(=O)CC....
68 1GHY Ki = 0.008 uM 121 C13 H12 N5 O c1cc(c(nc1....
69 1MU8 Ki = 1 nM CDB C21 H23 F3 N6 O2 Cc1ccnc(c1....
70 1MUE Ki = 2.3 nM CDD C20 H17 Cl F3 N5 O3 c1ccc(c(c1....
71 2C8W ic50 = 3.7 nM C7M C25 H30 Cl N6 O4 S COc1ccc(cc....
72 1O5G Ki = 11 uM CR9 C21 H23 F N4 O2 C[C@H]1CCC....
73 1BCU Kd = 0.53 mM PRL C13 H11 N3 c1cc(cc2c1....
74 3QTO Ki = 74.8 uM 10P C21 H27 N4 O2 C[n+]1cccc....
75 1GHW Ki = 4 uM BMZ C14 H13 N4 O c1ccc(c(c1....
76 1C1V Ki = 0.023 uM BAB C17 H19 N8 c1cc2c(cc1....
77 1TOM Ki = 5 nM MIN C22 H34 N4 O2 CN[C@H](Cc....
78 1KTT ic50 = 1.5 uM C02 C22 H21 N5 O2 S Cn1c2ccc(c....
79 6ZV8 ic50 = 0.7 nM QQT C24 H27 Cl F N3 O5 C[C@H]1CN(....
80 3SV2 Ki = 64 uM P05 C20 H24 N4 O2 c1ccc(cc1)....
81 1O2G Ki = 0.76 uM 696 C21 H17 N3 O c1ccc(cc1)....
82 2C93 ic50 = 12 uM C4M C20 H28 N2 O4 S Cc1cc(c(c(....
83 4LXB ic50 = 7 nM 7R9 C26 H32 Cl F2 N5 O6 S2 CN(C)[C@H]....
84 3QWC Ki = 55.4 uM 98P C21 H26 Cl N4 O2 C[n+]1ccc(....
85 1D3D Ka = 1240000000 M^-1 BZT C32 H35 Br N2 O2 S c1cc(ccc1c....
86 4UFG - D6J C29 H35 N5 O4 S CC[C@@H](C....
87 5AFZ Kd = 0.16 uM UET C26 H29 N5 O4 S c1ccc(cc1)....
88 4UE7 Kd = 107 uM MRZ C6 H13 N3 [H]/N=C(N)....
89 3BIU - 10U C20 H29 N5 O2 c1cc(ccc1C....
90 4UFF - 6V2 C27 H31 N5 O4 S [H]/N=C(c1....
91 5AHG - Y4L C8 H11 Cl N2 O2 S CN(C)S(=O)....
92 3BIV - 11U C21 H31 N5 O2 [H]/N=C(/c....
93 4AX9 Ki = 0.00027 uM N5N C26 H34 N6 O6 S [H]/N=C(/N....
94 4UEH Kd = 355 uM BEN C7 H8 N2 [H]/N=C(c1....
95 4UFD - S49 C29 H33 N5 O4 S [H]/N=C(/c....
96 2V3O - I26 C24 H33 F N4 O3 [H]/N=C(/c....
97 5AF9 Kd = 1003 uM SJR C13 H12 N2 O2 COc1ccc(cc....
98 4UD9 Kd = 475 uM FQI C5 H4 Cl N O S c1cc(sc1C(....
99 1T4U - 81A C20 H25 N3 O7 S2 [H]/N=C(N)....
100 2R2M Ki = 47.1 nM I50 C19 H21 Cl F3 N5 O2 [H]/N=C(/N....
101 5AFY - WCE C7 H6 Cl N O c1cc(cc(c1....
102 6ZUG ic50 = 12 nM QPW C24 H28 Cl N3 O4 CCCN(C[C@@....
103 1T4V Ki = 0.021 uM 14A C19 H27 Cl N4 O3 C=CCN(C1CC....
104 4UFE - 3ZD C27 H31 N5 O4 S [H]/N=C(c1....
105 4UDW Kd = 0.27 uM N6L C21 H23 Cl2 N3 O2 c1ccc(cc1)....
106 2CF8 Ki = 0.008 uM ESH C26 H31 Cl N4 O [H]/N=C(c1....
107 2CF9 Ki = 0.015 uM 348 C27 H34 N4 O2 [H]/N=C(c1....
108 1VZQ Ki = 36 nM SHY C24 H24 N4 O5 [H]/N=C(c1....
109 2HGT - DPN PRO ARG n/a n/a
110 3VXE - DPN PRO ARG n/a n/a
111 1C4V Ki = 0.016 nM IH2 C30 H36 N6 O3 [H]/N=C(C1....
112 2V3H - I25 C24 H34 N4 O3 [H]/N=C(/c....
113 2CN0 Ki = 22 nM F25 C24 H27 F3 N4 O c1cc(ccc1C....
114 1OYT Ki = 0.057 uM FSN C23 H24 F N4 O2 c1cc(ccc1C....
115 1TMT - DPN PRO ARG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BMZ; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 BMZ 1 1
2 CR4 0.672131 0.951219
3 122 0.622951 1
4 123 0.597015 0.911111
5 780 0.585714 0.951219
6 121 0.575758 0.953488
7 802 0.536232 0.866667
8 334 0.521127 0.847826
9 656 0.5 0.764706
10 653 0.493671 0.8125
11 801 0.492754 0.906977
12 655 0.4875 0.795918
13 785 0.486842 0.8125
14 607 0.482353 0.78
15 693 0.482353 0.75
16 130 0.466667 0.97561
17 847 0.45679 0.75
18 124 0.455882 0.926829
19 120 0.452055 0.692308
20 312 0.450549 0.764706
Similar Ligands (3D)
Ligand no: 1; Ligand: BMZ; Similar ligands found: 546
No: Ligand Similarity coefficient
1 0NJ 0.9711
2 MI2 0.9634
3 205 0.9565
4 23M 0.9492
5 907 0.9474
6 LC1 0.9453
7 3MI 0.9426
8 1UR 0.9420
9 AO 0.9414
10 47X 0.9381
11 22M 0.9380
12 1R5 0.9360
13 WG8 0.9342
14 OLU 0.9340
15 97K 0.9330
16 2WU 0.9327
17 A05 0.9326
18 1UT 0.9319
19 A64 0.9318
20 1V0 0.9313
21 397 0.9308
22 1DR 0.9294
23 7G2 0.9293
24 1V8 0.9290
25 ZTW 0.9278
26 27F 0.9276
27 29F 0.9266
28 G2V 0.9266
29 0UL 0.9255
30 MBT 0.9246
31 D26 0.9243
32 EES 0.9235
33 C0V 0.9234
34 Z3R 0.9231
35 1UZ 0.9222
36 A63 0.9218
37 F08 0.9214
38 A26 0.9211
39 20D 0.9209
40 3K1 0.9208
41 GJG 0.9206
42 HRD 0.9205
43 A8D 0.9203
44 FCW 0.9195
45 06R 0.9184
46 135 0.9182
47 U14 0.9176
48 20N 0.9170
49 LU2 0.9167
50 BXS 0.9165
51 D25 0.9163
52 DFL 0.9163
53 F18 0.9163
54 U13 0.9162
55 7EH 0.9162
56 F36 0.9161
57 1V1 0.9161
58 1HP 0.9156
59 5OR 0.9154
60 4UM 0.9150
61 MR4 0.9144
62 08C 0.9144
63 P4T 0.9141
64 245 0.9132
65 40N 0.9132
66 L2K 0.9131
67 18E 0.9129
68 6H2 0.9128
69 IDZ 0.9126
70 PRL 0.9125
71 A73 0.9119
72 1Q1 0.9116
73 39R 0.9116
74 XAV 0.9111
75 SJR 0.9110
76 2OX 0.9110
77 5TT 0.9109
78 RF2 0.9109
79 72H 0.9109
80 8M5 0.9107
81 J84 0.9105
82 S98 0.9100
83 VGV 0.9098
84 TEF 0.9096
85 5WW 0.9095
86 1V4 0.9093
87 5TU 0.9093
88 68C 0.9091
89 GEN 0.9087
90 LUM 0.9085
91 W2E 0.9084
92 6BK 0.9084
93 108 0.9084
94 BX4 0.9083
95 MR5 0.9083
96 BBP 0.9080
97 E9L 0.9080
98 JL7 0.9079
99 BMC 0.9079
100 AZB 0.9077
101 K7H 0.9075
102 A45 0.9073
103 LZ4 0.9073
104 BSU 0.9071
105 O53 0.9068
106 6QT 0.9067
107 4FC 0.9067
108 PIC 0.9063
109 HRM 0.9063
110 789 0.9063
111 N5B 0.9058
112 CX6 0.9058
113 28A 0.9055
114 AJG 0.9054
115 K0G 0.9051
116 U55 0.9049
117 GN5 0.9048
118 E98 0.9046
119 H2W 0.9043
120 4CN 0.9041
121 25F 0.9040
122 6P3 0.9040
123 1V3 0.9040
124 LZ7 0.9038
125 PIQ 0.9036
126 Q92 0.9035
127 ZAR 0.9032
128 6FX 0.9031
129 NKI 0.9031
130 5ER 0.9030
131 LR8 0.9030
132 Y27 0.9028
133 272 0.9025
134 H75 0.9024
135 TVC 0.9023
136 BP5 0.9023
137 W8L 0.9021
138 LIG 0.9021
139 7FZ 0.9020
140 H4B 0.9017
141 31F 0.9016
142 SNV 0.9016
143 338 0.9015
144 0OK 0.9012
145 UAY 0.9012
146 P7V 0.9011
147 CDJ 0.9010
148 2QU 0.9010
149 RGK 0.9009
150 15Q 0.9009
151 S45 0.9007
152 1Q2 0.9005
153 1XS 0.9004
154 3F4 0.9004
155 CIU 0.9003
156 ZSP 0.9003
157 WA1 0.9002
158 AD6 0.9001
159 CUE 0.8998
160 U12 0.8998
161 041 0.8997
162 4AJ 0.8996
163 NPS 0.8993
164 2J1 0.8992
165 0DF 0.8989
166 SZ5 0.8986
167 91F 0.8985
168 90G 0.8985
169 7EL 0.8985
170 1FE 0.8984
171 5XM 0.8983
172 6T5 0.8983
173 0MB 0.8983
174 JRO 0.8979
175 SDN 0.8978
176 T21 0.8978
177 2ZI 0.8974
178 MRE 0.8973
179 M3W 0.8973
180 IY5 0.8969
181 4UE 0.8968
182 WLH 0.8968
183 FBC 0.8967
184 M4N 0.8966
185 2UV 0.8965
186 TVZ 0.8964
187 S0D 0.8963
188 AGI 0.8963
189 YE6 0.8962
190 STR 0.8962
191 KWV 0.8961
192 JVB 0.8960
193 6DQ 0.8958
194 7KE 0.8955
195 Q8D 0.8954
196 QS4 0.8949
197 Q0K 0.8948
198 5DE 0.8948
199 MT6 0.8947
200 IIH 0.8946
201 ESR 0.8944
202 83D 0.8944
203 AQN 0.8941
204 KLS 0.8941
205 J3B 0.8941
206 RSV 0.8939
207 0DJ 0.8935
208 738 0.8932
209 C4E 0.8930
210 TID 0.8929
211 E92 0.8928
212 Q8G 0.8927
213 72G 0.8925
214 BC5 0.8925
215 EST 0.8924
216 RHN 0.8923
217 6JM 0.8923
218 833 0.8922
219 Z94 0.8919
220 M83 0.8919
221 NIF 0.8915
222 AJ1 0.8915
223 3DE 0.8914
224 NDD 0.8913
225 5S9 0.8911
226 A9B 0.8911
227 3WL 0.8909
228 ESJ 0.8909
229 D64 0.8908
230 4ZF 0.8908
231 WF4 0.8907
232 X8I 0.8903
233 S1C 0.8895
234 7L4 0.8893
235 DFV 0.8893
236 VUP 0.8891
237 Q11 0.8890
238 AV7 0.8888
239 6VW 0.8887
240 J2N 0.8886
241 MKN 0.8884
242 LI7 0.8884
243 E8Z 0.8882
244 P4L 0.8881
245 697 0.8881
246 ERJ 0.8880
247 L43 0.8878
248 QUE 0.8875
249 4DE 0.8874
250 AX1 0.8873
251 LFN 0.8872
252 47V 0.8872
253 4YE 0.8871
254 5VU 0.8870
255 196 0.8870
256 7LU 0.8869
257 EI1 0.8868
258 SNJ 0.8868
259 7FU 0.8865
260 LJ2 0.8864
261 O9Q 0.8863
262 FHV 0.8861
263 NAR 0.8860
264 KMP 0.8860
265 ZRK 0.8859
266 NRA 0.8859
267 STL 0.8855
268 Z21 0.8853
269 4AU 0.8853
270 HPX 0.8852
271 9CE 0.8851
272 FSE 0.8851
273 8V8 0.8850
274 QIV 0.8848
275 MR6 0.8847
276 OSY 0.8847
277 ERZ 0.8846
278 PQM 0.8846
279 AP6 0.8842
280 S0A 0.8841
281 109 0.8839
282 2JP 0.8838
283 PLO 0.8837
284 5ZM 0.8835
285 521 0.8834
286 KU1 0.8834
287 7G0 0.8834
288 9EG 0.8834
289 2P3 0.8833
290 H2B 0.8833
291 HBI 0.8833
292 9C8 0.8829
293 3XL 0.8829
294 A6W 0.8827
295 797 0.8827
296 XYP XYP 0.8826
297 4P9 0.8825
298 TFX 0.8825
299 6JO 0.8824
300 CMP 0.8823
301 ITE 0.8822
302 END 0.8821
303 ZUF 0.8820
304 FY8 0.8817
305 G1L 0.8817
306 0RY 0.8815
307 NZ4 0.8813
308 IXG 0.8812
309 57D 0.8811
310 ZEA 0.8810
311 DX7 0.8810
312 EQU 0.8807
313 1UW 0.8806
314 X2M 0.8806
315 6ZE 0.8805
316 5WK 0.8805
317 4AB 0.8805
318 NEO 0.8804
319 MHB 0.8803
320 HMO 0.8803
321 88X 0.8802
322 E6Q 0.8802
323 A5Q 0.8801
324 VT3 0.8800
325 0XR 0.8799
326 0S0 0.8799
327 YZ9 0.8799
328 62D 0.8798
329 92O 0.8798
330 XYS XYS 0.8798
331 JF8 0.8797
332 TFQ 0.8797
333 LJ5 0.8796
334 NVS 0.8795
335 F40 0.8793
336 AOM 0.8793
337 4ZW 0.8793
338 32F 0.8790
339 BRZ 0.8789
340 72D 0.8789
341 6FB 0.8789
342 PIT 0.8788
343 6F3 0.8787
344 2L1 0.8786
345 MQR 0.8785
346 II4 0.8784
347 0SY 0.8784
348 4HG 0.8783
349 1EL 0.8783
350 SAU 0.8783
351 7ZO 0.8783
352 J45 0.8782
353 Y3L 0.8782
354 YE7 0.8779
355 F5N 0.8779
356 0LA 0.8778
357 0K7 0.8777
358 1OT 0.8777
359 8CC 0.8775
360 J3Z 0.8775
361 LWA 0.8773
362 U4J 0.8771
363 O9T 0.8770
364 3Q0 0.8769
365 WV7 0.8768
366 BOS 0.8768
367 72E 0.8767
368 DX2 0.8767
369 L02 0.8767
370 F1T 0.8766
371 HHB 0.8765
372 XYP XDN 0.8765
373 EZL 0.8765
374 2QV 0.8762
375 4B8 0.8762
376 26A 0.8761
377 5SD 0.8760
378 CT0 0.8759
379 5XL 0.8759
380 AOX 0.8756
381 4AF 0.8756
382 KWD 0.8755
383 NNF 0.8753
384 CWE 0.8750
385 90M 0.8750
386 ENY 0.8749
387 J1K 0.8749
388 26C 0.8748
389 FTK 0.8748
390 JCQ 0.8745
391 HH6 0.8744
392 6WL 0.8744
393 HUL 0.8743
394 ECS 0.8743
395 DX8 0.8741
396 51Y 0.8741
397 613 0.8740
398 X2L 0.8739
399 UN9 0.8738
400 ESZ 0.8738
401 2JX 0.8738
402 M5A 0.8738
403 PJK 0.8738
404 4YF 0.8737
405 ZRL 0.8735
406 A5H 0.8734
407 WCU 0.8733
408 DHT 0.8732
409 1CE 0.8731
410 1EB 0.8731
411 79X 0.8731
412 OUG 0.8728
413 JAH 0.8725
414 NOC 0.8724
415 ARJ 0.8724
416 HWB 0.8724
417 4GU 0.8720
418 AVX 0.8720
419 S60 0.8720
420 XIL 0.8719
421 XDL XYP 0.8719
422 GA6 0.8719
423 1ZC 0.8715
424 JMG 0.8715
425 38E 0.8715
426 6SD 0.8714
427 517 0.8713
428 2PK 0.8713
429 PQS 0.8711
430 17M 0.8710
431 5NN 0.8710
432 JA5 0.8708
433 2PV 0.8707
434 3SU 0.8707
435 AND 0.8706
436 6WU 0.8703
437 5E5 0.8701
438 XDN XYP 0.8701
439 5SJ 0.8700
440 BER 0.8700
441 9YD 0.8700
442 LOT 0.8697
443 OUA 0.8696
444 1CA 0.8694
445 FNT 0.8691
446 B1J 0.8691
447 BON 0.8689
448 J8D 0.8689
449 LOX XYP 0.8688
450 KLE 0.8687
451 27M 0.8686
452 HPK 0.8685
453 BIO 0.8680
454 F02 0.8679
455 1SX 0.8679
456 5EZ 0.8679
457 JVD 0.8678
458 01I 0.8677
459 3D8 0.8677
460 4KN 0.8674
461 5M2 0.8673
462 35K 0.8673
463 6MD 0.8673
464 XCG 0.8672
465 5Z5 0.8668
466 HDI 0.8665
467 XYS XYP 0.8665
468 BRY 0.8665
469 J38 0.8664
470 3JC 0.8662
471 PW8 0.8657
472 5AD 0.8655
473 3VQ 0.8652
474 DEH 0.8652
475 T5J 0.8649
476 ASD 0.8649
477 0ON 0.8646
478 3N0 0.8646
479 JCZ 0.8644
480 FYR 0.8644
481 R18 0.8644
482 HNT 0.8644
483 IQW 0.8643
484 6DH 0.8642
485 3GX 0.8642
486 LJ1 0.8641
487 BGU 0.8641
488 4NR 0.8639
489 IGP 0.8638
490 NE2 0.8637
491 JBZ 0.8636
492 YIP 0.8635
493 E3X 0.8633
494 IXM 0.8631
495 GJB 0.8631
496 TES 0.8630
497 DDC 0.8629
498 A5W 0.8629
499 1FL 0.8627
500 BBY 0.8626
501 IDD 0.8623
502 SGW 0.8623
503 U32 0.8622
504 ESM 0.8622
505 HAU 0.8621
506 3G5 0.8620
507 3VS 0.8619
508 1VG 0.8618
509 244 0.8616
510 8E3 0.8616
511 68B 0.8615
512 103 0.8615
513 AT2 0.8614
514 ADL 0.8611
515 BIH 0.8610
516 6JP 0.8609
517 H32 0.8609
518 ICD 0.8608
519 7FC 0.8607
520 A9E 0.8606
521 36K 0.8605
522 QNM 0.8604
523 DZ3 0.8601
524 FMH 0.8599
525 3WK 0.8595
526 JKN 0.8595
527 39Z 0.8593
528 ECZ 0.8592
529 F33 0.8587
530 55H 0.8585
531 RDT 0.8585
532 TCR 0.8580
533 EAT 0.8577
534 TMG 0.8576
535 ODK 0.8574
536 NU3 0.8568
537 8D6 0.8559
538 CZ0 0.8552
539 S62 0.8547
540 ZHA 0.8544
541 DZ1 0.8540
542 5H6 0.8534
543 EAE 0.8533
544 609 0.8531
545 BJ4 0.8530
546 E42 0.8525
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3UTU; Ligand: 1TS; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 3utu.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1GJC 130 45.0593
2 1OSS BEN 47.0852
3 6B74 BEN 48.1481
4 1FIW PBZ 49.0347
5 1PQ7 ARG 49.5536
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