Receptor
PDB id Resolution Class Description Source Keywords
5AFY 1.12 Å EC: 3.4.21.5 THROMBIN IN COMPLEX WITH 3-CHLORO-BENZAMIDE HOMO SAPIENS HYDROLASE HYDROLASE INHIBITOR COMPLEX SERINE PROTEASE BLOCOAGULATION BLOOD CLOTTING CONVERTION OF FIBRINOGEN TO FIBLOOD CLOTTING INHIBITOR THROMBIN INHIBITOR FRAGMENT GLYCOSYLATION BLOOD
Ref.: FRAGMENTS CAN BIND EITHER MORE ENTHALPY OR ENTROPY-CRYSTAL STRUCTURES AND RESIDUAL HYDRATION PATTERN S WHY. J.MED.CHEM. V. 58 6960 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS H:1249;
H:1250;
Invalid;
Invalid;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
NAG H:1256;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
GOL H:1252;
H:1253;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
TYS H:1255;
Invalid;
none;
submit data
261.252 C9 H11 N O6 S c1cc(...
NA H:1247;
H:1246;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
PO4 H:1251;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
WCE H:1248;
Valid;
none;
submit data
155.582 C7 H6 Cl N O c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4AX9 1.9 Å EC: 3.4.21.5 HUMAN THROMBIN COMPLEXED WITH NAPSAGATRAN, RO0466240 HOMO SAPIENS HYDROLASE-HYDROLASE INHIBITOR COMPLEX HYDROLASE HYDROLASE ICOMPLEX
Ref.: DESIGN AND SYNTHESIS OF POTENT AND HIGHLY SELECTIVE INHIBITORS. J.MED.CHEM. V. 37 3889 1994
Members (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 1D3D Ka = 1240000000 M^-1 BZT C32 H35 Br N2 O2 S c1cc(ccc1c....
2 4UFG - D6J C29 H35 N5 O4 S CC[C@@H](C....
3 5AFZ Kd = 0.16 uM UET C26 H29 N5 O4 S c1ccc(cc1)....
4 4UE7 Kd = 107 uM MRZ C6 H13 N3 [H]/N=C(N)....
5 3BIU - 10U C20 H29 N5 O2 c1cc(ccc1C....
6 4UFF - 6V2 C27 H31 N5 O4 S [H]/N=C(c1....
7 5AHG - Y4L C8 H11 Cl N2 O2 S CN(C)S(=O)....
8 3BIV - 11U C21 H31 N5 O2 [H]/N=C(/c....
9 4AX9 Ki = 0.00027 uM N5N C26 H34 N6 O6 S [H]/N=C(/N....
10 4UEH Kd = 355 uM BEN C7 H8 N2 [H]/N=C(c1....
11 4UFD - S49 C29 H33 N5 O4 S [H]/N=C(/c....
12 2V3O - I26 C24 H33 F N4 O3 [H]/N=C(/c....
13 5AF9 Kd = 1003 uM SJR C13 H12 N2 O2 COc1ccc(cc....
14 4UD9 Kd = 475 uM FQI C5 H4 Cl N O S c1cc(sc1C(....
15 1T4U - 81A C20 H25 N3 O7 S2 [H]/N=C(N)....
16 2R2M Ki = 47.1 nM I50 C19 H21 Cl F3 N5 O2 [H]/N=C(/N....
17 5AFY - WCE C7 H6 Cl N O c1cc(cc(c1....
18 6ZUG ic50 = 12 nM QPW C24 H28 Cl N3 O4 CCCN(C[C@@....
19 1T4V Ki = 0.021 uM 14A C19 H27 Cl N4 O3 C=CCN(C1CC....
20 4UFE - 3ZD C27 H31 N5 O4 S [H]/N=C(c1....
21 4UDW Kd = 0.27 uM N6L C21 H23 Cl2 N3 O2 c1ccc(cc1)....
22 2CF8 Ki = 0.008 uM ESH C26 H31 Cl N4 O [H]/N=C(c1....
23 2CF9 Ki = 0.015 uM 348 C27 H34 N4 O2 [H]/N=C(c1....
24 1VZQ Ki = 36 nM SHY C24 H24 N4 O5 [H]/N=C(c1....
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: WCE; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 WCE 1 1
2 3AB 0.515152 0.652174
3 UNU 0.40625 0.736842
Similar Ligands (3D)
Ligand no: 1; Ligand: WCE; Similar ligands found: 1222
No: Ligand Similarity coefficient
1 3HB 1.0000
2 NMJ 1.0000
3 GAB 1.0000
4 BRT 1.0000
5 3BZ 1.0000
6 3NT 1.0000
7 5HN 1.0000
8 8GC 1.0000
9 OVV 1.0000
10 53C 1.0000
11 4CS 1.0000
12 3OC 0.9834
13 P9P 0.9771
14 MYJ 0.9760
15 DHB 0.9752
16 QSB 0.9748
17 9TW 0.9742
18 CHB 0.9736
19 4A3 0.9726
20 93K 0.9717
21 3MB 0.9717
22 4NC 0.9716
23 XX2 0.9716
24 FHB 0.9714
25 2HO 0.9714
26 7MU 0.9705
27 NCA 0.9703
28 IHB 0.9701
29 3HM 0.9699
30 INO 0.9695
31 JLZ 0.9691
32 6PC 0.9690
33 NNO 0.9682
34 3M0 0.9682
35 6CS 0.9682
36 YCP 0.9678
37 PBC 0.9671
38 OVM 0.9671
39 BEZ 0.9670
40 3F0 0.9668
41 34D 0.9666
42 54G 0.9663
43 OXC 0.9663
44 AW5 0.9660
45 FE DB1 0.9659
46 DBH 0.9659
47 BAM 0.9659
48 J9T 0.9657
49 BEN 0.9657
50 NIO 0.9655
51 JBK 0.9654
52 3HA 0.9652
53 5RG 0.9645
54 GTQ 0.9639
55 PZA 0.9639
56 5M0 0.9635
57 ORO 0.9634
58 069 0.9633
59 D1X 0.9632
60 1P3 0.9632
61 45L 0.9626
62 SX1 0.9621
63 AC0 0.9616
64 NBZ 0.9614
65 5MK 0.9605
66 14J 0.9598
67 OVP 0.9596
68 MLT 0.9590
69 2AL 0.9588
70 VGL 0.9588
71 51R 0.9578
72 BE7 0.9577
73 9TZ 0.9576
74 5OB 0.9572
75 6M9 0.9570
76 XCZ 0.9566
77 OAA 0.9554
78 NTN 0.9551
79 GYE 0.9547
80 1P7 0.9541
81 OW4 0.9529
82 BE2 0.9526
83 SAL 0.9525
84 SS1 0.9525
85 M58 0.9520
86 3ID 0.9517
87 0RW 0.9515
88 FQI 0.9514
89 DMD 0.9507
90 DOR 0.9506
91 4SV 0.9505
92 FBW 0.9503
93 RM1 0.9501
94 XQ0 0.9499
95 2K4 0.9496
96 BZ3 0.9495
97 F60 0.9494
98 BNS 0.9491
99 6AI 0.9490
100 5MB 0.9490
101 14O 0.9487
102 5MI 0.9486
103 5H1 0.9485
104 5B1 0.9479
105 11S 0.9478
106 7B4 0.9471
107 6M4 0.9469
108 ISZ 0.9467
109 AHR 0.9462
110 ES9 0.9453
111 H42 0.9453
112 PZI 0.9451
113 H4N 0.9450
114 DYA 0.9448
115 DHK 0.9448
116 FAN 0.9446
117 F05 0.9446
118 PDC 0.9446
119 SVN 0.9445
120 F31 0.9444
121 9EW 0.9443
122 ES6 0.9441
123 I1E 0.9440
124 FK1 0.9439
125 4FH 0.9438
126 GUN 0.9438
127 BZX 0.9435
128 JBE 0.9430
129 I3A 0.9429
130 C2A 0.9426
131 VNL 0.9421
132 ES2 0.9417
133 QSC 0.9417
134 3U4 0.9416
135 8NY 0.9412
136 2AQ 0.9410
137 LMR 0.9407
138 R8S 0.9404
139 VNJ 0.9400
140 VGD 0.9399
141 5IQ 0.9396
142 42A 0.9396
143 C2U 0.9393
144 HH8 0.9393
145 JB5 0.9393
146 COU 0.9390
147 JKE 0.9390
148 1P8 0.9389
149 5SG 0.9388
150 1LQ 0.9388
151 4FS 0.9387
152 CFI 0.9387
153 03V 0.9385
154 NPO 0.9385
155 JFJ 0.9385
156 7HQ 0.9384
157 Q88 0.9382
158 GDE 0.9382
159 7VS 0.9382
160 OCH 0.9381
161 FBM 0.9381
162 4XH 0.9379
163 KOJ 0.9379
164 9DG 0.9379
165 7WG 0.9378
166 ADZ 0.9378
167 1SQ 0.9376
168 LZM 0.9376
169 QWN 0.9374
170 36R 0.9374
171 M6N 0.9374
172 1DW 0.9371
173 IFP 0.9370
174 HHA 0.9370
175 X0V 0.9369
176 QSH 0.9369
177 JA8 0.9366
178 1NP 0.9366
179 BHO 0.9364
180 ES1 0.9364
181 M4T 0.9364
182 PHU 0.9364
183 BOA 0.9364
184 N5J 0.9363
185 PBZ 0.9362
186 ADE 0.9362
187 NIZ 0.9362
188 HPA 0.9361
189 ES5 0.9360
190 YH7 0.9360
191 PHB 0.9359
192 CLW 0.9357
193 XAN 0.9357
194 IT2 0.9357
195 7WV 0.9357
196 23A 0.9356
197 KKN 0.9355
198 UNC 0.9355
199 IND 0.9355
200 QXW 0.9355
201 ES0 0.9353
202 M0Q 0.9353
203 A13 0.9350
204 L99 0.9350
205 RSF 0.9349
206 5Q0 0.9348
207 4YS 0.9348
208 JPZ 0.9345
209 CWM 0.9344
210 QUZ 0.9343
211 IJZ 0.9342
212 Q24 0.9342
213 5XC 0.9342
214 GZL 0.9341
215 LNR 0.9339
216 1XM 0.9336
217 AZA 0.9335
218 AZ8 0.9333
219 SKM 0.9333
220 24W 0.9333
221 1Y6 0.9331
222 RSO 0.9331
223 5RN 0.9330
224 NPY 0.9330
225 6AP 0.9329
226 HQJ 0.9326
227 HBD 0.9326
228 826 0.9326
229 3XX 0.9325
230 MEW 0.9323
231 6MP 0.9323
232 ASC 0.9322
233 HQY 0.9322
234 P72 0.9322
235 GAG 0.9322
236 PAB 0.9321
237 2HQ 0.9321
238 TZC 0.9321
239 FYU 0.9320
240 FOT 0.9318
241 AQO 0.9318
242 1WD 0.9318
243 DOB 0.9317
244 9MG 0.9315
245 4P5 0.9314
246 FA0 0.9313
247 EKZ 0.9313
248 3Z7 0.9313
249 2DR 0.9313
250 IGA 0.9312
251 BP1 0.9310
252 5NU 0.9310
253 M5K 0.9310
254 Q6T 0.9309
255 4MA 0.9308
256 BHA 0.9307
257 L5V 0.9307
258 DEN 0.9306
259 EYK 0.9305
260 FGZ 0.9303
261 5JQ 0.9303
262 HLZ 0.9302
263 EA1 0.9301
264 4ZC 0.9301
265 S76 0.9301
266 4XR 0.9301
267 4HC 0.9300
268 DA4 0.9299
269 SW7 0.9299
270 C21 0.9299
271 A2F 0.9299
272 10L 0.9298
273 AX7 0.9298
274 ET2 0.9298
275 URC 0.9297
276 FPI 0.9297
277 DE5 0.9296
278 TPA 0.9296
279 DBX 0.9295
280 42C 0.9292
281 OK7 0.9292
282 ISN 0.9292
283 DIU 0.9292
284 SJ5 0.9291
285 ZZ3 0.9290
286 ES7 0.9288
287 MR1 0.9287
288 270 0.9286
289 KBB 0.9285
290 0W8 0.9285
291 2PC 0.9284
292 SYN 0.9283
293 5CU 0.9282
294 4M0 0.9282
295 BZI 0.9282
296 GBD 0.9281
297 ABV 0.9281
298 V55 0.9281
299 AJ2 0.9280
300 PYC 0.9280
301 5WV 0.9279
302 HY3 0.9279
303 282 0.9278
304 HMH 0.9278
305 PM6 0.9277
306 97T 0.9277
307 PD2 0.9277
308 3PF 0.9277
309 1PT 0.9276
310 4JP 0.9275
311 174 0.9273
312 141 0.9273
313 AMC 0.9272
314 F0J 0.9271
315 SHA 0.9271
316 AZG 0.9271
317 4HM 0.9271
318 TIU 0.9270
319 3FH 0.9270
320 PY7 0.9269
321 HX3 0.9268
322 DHS 0.9268
323 F81 0.9268
324 2CQ 0.9268
325 0HO 0.9267
326 2MI 0.9266
327 ICO 0.9265
328 HBX 0.9265
329 0R1 0.9264
330 6GU 0.9264
331 DIN 0.9263
332 7NI 0.9263
333 GLC 0.9263
334 9DA 0.9262
335 AC6 0.9262
336 FB2 0.9261
337 LZ1 0.9261
338 MUA 0.9261
339 2A7 0.9260
340 K2T 0.9259
341 F9P 0.9259
342 LT2 0.9259
343 ES4 0.9258
344 9HX 0.9258
345 G3E 0.9257
346 K5W 0.9256
347 PE0 0.9256
348 XAZ 0.9256
349 5VM 0.9254
350 75K 0.9251
351 ABN 0.9251
352 E7Z 0.9250
353 XQG 0.9250
354 Z82 0.9248
355 IDM 0.9247
356 3A9 0.9245
357 PYF 0.9245
358 TH7 0.9245
359 BTE 0.9244
360 FBB 0.9244
361 PRO 0.9243
362 BGC 0.9243
363 MPI 0.9242
364 J5I 0.9241
365 5QY 0.9241
366 7HP 0.9240
367 4AA 0.9240
368 SMV 0.9240
369 DRL 0.9240
370 0HN 0.9239
371 1XN 0.9238
372 MO8 0.9237
373 PMB 0.9237
374 SE2 0.9236
375 FBV 0.9235
376 BZF 0.9235
377 4ZA 0.9234
378 86J 0.9234
379 OXQ 0.9233
380 5JL 0.9232
381 XBT 0.9232
382 47J 0.9231
383 92K 0.9230
384 M2K 0.9230
385 JBN 0.9230
386 HIS 0.9230
387 8G0 0.9226
388 5AC 0.9225
389 AKH 0.9225
390 2ZM 0.9224
391 BTY 0.9224
392 PCA 0.9224
393 D48 0.9220
394 60P 0.9220
395 CFP 0.9220
396 BCP 0.9220
397 MRW 0.9219
398 4M4 0.9219
399 RD4 0.9218
400 0F9 0.9216
401 NBE 0.9216
402 0CT 0.9215
403 2HU 0.9214
404 J9Q 0.9214
405 DX4 0.9214
406 290 0.9213
407 G5V 0.9211
408 MJ2 0.9211
409 GVH 0.9210
410 DHQ 0.9210
411 HMU 0.9209
412 7WA 0.9207
413 ZZT 0.9206
414 6NT 0.9205
415 CWJ 0.9205
416 3R6 0.9205
417 4SX 0.9205
418 ABI 0.9204
419 4WL 0.9204
420 EUG 0.9200
421 HJP 0.9200
422 P92 0.9197
423 TP5 0.9194
424 7W4 0.9194
425 54D 0.9194
426 KT7 0.9194
427 0CU 0.9194
428 BDP 0.9192
429 G3F 0.9190
430 4Z4 0.9189
431 A7W 0.9188
432 FBU 0.9188
433 XM0 0.9188
434 JAE 0.9187
435 8TX 0.9187
436 EV0 0.9186
437 150 0.9186
438 2CK 0.9184
439 PKU 0.9182
440 KUF 0.9182
441 265 0.9180
442 GIF 0.9180
443 ASP 0.9180
444 B55 0.9179
445 CXF 0.9179
446 3IT 0.9178
447 FOA 0.9177
448 F12 0.9176
449 3Z8 0.9175
450 6OT 0.9175
451 AS3 0.9173
452 GCS 0.9173
453 M1A 0.9172
454 HT4 0.9172
455 CWS 0.9172
456 6RQ 0.9170
457 F4Z 0.9170
458 DIE 0.9170
459 717 0.9168
460 8WO 0.9167
461 JAW 0.9166
462 F9Y 0.9166
463 A29 0.9166
464 NOJ 0.9165
465 HQT 0.9164
466 SVD 0.9164
467 MWM 0.9164
468 DNF 0.9164
469 2YU 0.9163
470 4JT 0.9163
471 25W 0.9163
472 2F6 0.9161
473 5NI 0.9161
474 JZ5 0.9161
475 RCO 0.9160
476 JZ9 0.9159
477 4ZE 0.9159
478 6NI 0.9157
479 NK 0.9157
480 TH0 0.9157
481 MCT 0.9157
482 HQD 0.9156
483 OW7 0.9155
484 HY1 0.9154
485 2D0 0.9154
486 67N 0.9153
487 1F1 0.9152
488 1WG 0.9151
489 TC7 0.9151
490 P3K 0.9148
491 CRS 0.9147
492 273 0.9147
493 OHG 0.9146
494 TM7 0.9146
495 9CL 0.9145
496 HH5 0.9138
497 VXX 0.9137
498 DBJ 0.9137
499 5UC 0.9137
500 PAC 0.9137
501 8H8 0.9135
502 EDR 0.9135
503 1DV 0.9134
504 8S0 0.9133
505 XYP 0.9133
506 SRT 0.9131
507 94W 0.9130
508 URF 0.9130
509 G6D 0.9128
510 2AK 0.9124
511 ZBT 0.9124
512 0JD 0.9124
513 SYV 0.9123
514 0P6 0.9123
515 173 0.9121
516 284 0.9121
517 II6 0.9120
518 AZ9 0.9119
519 HBA 0.9119
520 ONR 0.9117
521 IFM 0.9114
522 JZ3 0.9113
523 6VD 0.9113
524 KJU 0.9112
525 4ME 0.9111
526 0N7 0.9110
527 AGK 0.9109
528 7WR 0.9108
529 N2I 0.9106
530 8IG 0.9104
531 5JC 0.9104
532 DFB 0.9102
533 5GU 0.9101
534 XBZ 0.9101
535 12Q 0.9100
536 M2H 0.9096
537 FP1 0.9096
538 3CH 0.9096
539 XRG 0.9093
540 MZG 0.9092
541 8WT 0.9091
542 R20 0.9091
543 3NY 0.9090
544 3SK 0.9088
545 L3Q 0.9087
546 MWP 0.9087
547 3DO 0.9086
548 URA 0.9085
549 261 0.9084
550 GXY 0.9083
551 FUM 0.9083
552 6TZ 0.9083
553 HEW 0.9082
554 LDP 0.9081
555 3DM 0.9080
556 HGQ 0.9080
557 GCU 0.9080
558 2AC 0.9079
559 LG3 0.9079
560 MXN 0.9078
561 7W1 0.9078
562 B3R 0.9077
563 FB1 0.9077
564 GLU 0.9077
565 275 0.9075
566 HLR 0.9075
567 HIO 0.9074
568 4H2 0.9073
569 1MC 0.9072
570 4HO 0.9071
571 0R0 0.9071
572 TDR 0.9070
573 0FO 0.9070
574 WBU 0.9069
575 MRZ 0.9068
576 32X 0.9068
577 24B 0.9068
578 JAB 0.9067
579 A1U 0.9066
580 2RH 0.9065
581 LG5 0.9065
582 DTL 0.9065
583 GV9 0.9064
584 G4D 0.9064
585 8CM 0.9063
586 BVF 0.9063
587 PRZ 0.9062
588 PEP 0.9062
589 PRS 0.9061
590 4JQ 0.9061
591 AJV 0.9060
592 3HP 0.9060
593 MQN 0.9059
594 OXZ 0.9059
595 5QX 0.9059
596 CTL 0.9059
597 34A 0.9058
598 2MP 0.9058
599 UAN 0.9057
600 JDN 0.9056
601 463 0.9056
602 69O 0.9056
603 LXC 0.9056
604 SIN 0.9055
605 45C 0.9054
606 GTR 0.9054
607 HSE 0.9054
608 M3T 0.9053
609 Z6J 0.9052
610 DQU 0.9051
611 44W 0.9051
612 MNN 0.9051
613 Y8I 0.9050
614 QDK 0.9049
615 4XS 0.9049
616 K34 0.9048
617 XYD 0.9048
618 1DJ 0.9047
619 OTW 0.9047
620 92P 0.9046
621 26D 0.9046
622 2EC 0.9045
623 JB8 0.9044
624 UFV 0.9043
625 1AL 0.9043
626 4CL 0.9043
627 2A9 0.9042
628 FBJ 0.9041
629 XHP 0.9041
630 QWW 0.9041
631 UY7 0.9040
632 D07 0.9039
633 CIG 0.9038
634 TTL 0.9038
635 4JJ 0.9037
636 TEO 0.9035
637 GRE 0.9034
638 R8A 0.9033
639 XUL 0.9032
640 RNS 0.9032
641 1LM 0.9030
642 KTA 0.9029
643 C2Y 0.9028
644 CYT 0.9028
645 IV2 0.9027
646 MWJ 0.9027
647 ICP 0.9026
648 PYD 0.9026
649 3SL 0.9026
650 1MR 0.9022
651 FA1 0.9022
652 9R5 0.9021
653 1DU 0.9020
654 ANN 0.9019
655 B2J 0.9019
656 1M2 0.9018
657 ADA 0.9017
658 AKG 0.9017
659 27Y 0.9016
660 IP0 0.9015
661 TSS 0.9015
662 GLY GLY 0.9014
663 J1Z 0.9013
664 12M 0.9012
665 5WX 0.9012
666 JZ2 0.9011
667 TYL 0.9011
668 MT0 0.9010
669 COI 0.9010
670 QX4 0.9010
671 43M 0.9010
672 4YO 0.9009
673 HDH 0.9006
674 SKA 0.9004
675 PEA 0.9003
676 CN0 0.9002
677 6M1 0.9001
678 5MH 0.9000
679 GAL 0.9000
680 TLD 0.8999
681 4XV 0.8999
682 PXL 0.8999
683 23W 0.8998
684 6F0 0.8998
685 SS2 0.8998
686 B62 0.8997
687 DGJ 0.8997
688 AZF 0.8995
689 H76 0.8994
690 GLA 0.8994
691 4MU 0.8993
692 QX2 0.8993
693 BR9 0.8992
694 5WY 0.8991
695 0TU 0.8990
696 URP 0.8990
697 QPR 0.8989
698 FCR 0.8988
699 O2A 0.8986
700 8GF 0.8986
701 2BG 0.8985
702 2PG 0.8984
703 8OZ 0.8984
704 15L 0.8983
705 XYL 0.8983
706 9X7 0.8981
707 2LY 0.8981
708 B60 0.8981
709 GJZ 0.8980
710 TWO 0.8980
711 MVN 0.8979
712 7CZ 0.8979
713 FDB 0.8977
714 4NM 0.8976
715 HSO 0.8976
716 MAQ 0.8975
717 0TR 0.8975
718 AAS 0.8975
719 RNT 0.8974
720 KYD 0.8974
721 RB5 0.8973
722 ODO 0.8973
723 E5X 0.8973
724 AL0 0.8972
725 N8Y 0.8971
726 ASO 0.8971
727 TLA 0.8971
728 82I 0.8970
729 7N0 0.8970
730 XIY 0.8970
731 495 0.8969
732 4SD 0.8969
733 IUR 0.8968
734 BSX 0.8967
735 RAM 0.8967
736 4VP 0.8964
737 GIV 0.8964
738 HX2 0.8964
739 13P 0.8962
740 DHR 0.8960
741 KJY 0.8959
742 2FY 0.8958
743 M4E 0.8957
744 H7Y 0.8957
745 EQT 0.8957
746 2XX 0.8956
747 MS9 0.8954
748 LYL 0.8954
749 NSP 0.8954
750 ZXD 0.8952
751 LDU 0.8952
752 4JO 0.8951
753 RIB 0.8951
754 RJY 0.8950
755 3AL 0.8950
756 WOT 0.8950
757 6ME 0.8948
758 HLD 0.8945
759 QIC 0.8944
760 9FL 0.8943
761 OGA 0.8943
762 SD4 0.8942
763 GOJ 0.8940
764 TZL 0.8939
765 M6W 0.8939
766 HHQ 0.8939
767 FUL 0.8939
768 6LW 0.8938
769 2ZV 0.8938
770 E35 0.8937
771 PIY 0.8937
772 PEL 0.8936
773 286 0.8935
774 FRU 0.8934
775 NID 0.8931
776 2FG 0.8927
777 MZB 0.8926
778 B53 0.8925
779 KDV 0.8924
780 EOL 0.8923
781 2LP 0.8923
782 OMD 0.8922
783 44V 0.8922
784 MZW 0.8920
785 CTS 0.8920
786 QY9 0.8919
787 5RO 0.8919
788 8ZE 0.8918
789 SRO 0.8918
790 XXR 0.8917
791 FBA 0.8914
792 B24 0.8914
793 LGC 0.8914
794 GAF 0.8912
795 HZQ 0.8911
796 KJH 0.8910
797 DUC 0.8910
798 PNZ 0.8909
799 AEF 0.8909
800 TSU 0.8909
801 52C 0.8909
802 ASN 0.8908
803 9CA 0.8908
804 4TU 0.8906
805 G2F 0.8906
806 SOE 0.8906
807 B57 0.8905
808 4BZ 0.8904
809 1IT 0.8903
810 TZE 0.8903
811 HQ9 0.8899
812 AHB 0.8899
813 SPV 0.8898
814 QMP 0.8898
815 KIV 0.8898
816 XLS 0.8897
817 RHU 0.8896
818 SAN 0.8896
819 DS0 0.8895
820 PYJ 0.8894
821 ESP 0.8893
822 APY 0.8893
823 O72 0.8893
824 GIO 0.8892
825 M3H 0.8891
826 AEH 0.8889
827 LSA 0.8889
828 263 0.8888
829 IDH 0.8888
830 BCU 0.8886
831 IF7 0.8884
832 OHP 0.8884
833 39A 0.8884
834 2ZQ 0.8883
835 URQ 0.8883
836 JTH 0.8883
837 2ZX 0.8882
838 INE 0.8882
839 13X 0.8882
840 URS 0.8879
841 R9S 0.8879
842 6UA 0.8875
843 Z5P 0.8874
844 40E 0.8873
845 BZ2 0.8873
846 APZ 0.8873
847 H3M 0.8873
848 4J8 0.8872
849 LEU 0.8872
850 4FA 0.8871
851 FBS 0.8870
852 9FE 0.8869
853 PQ0 0.8869
854 HSM 0.8869
855 PIM 0.8868
856 JBH 0.8866
857 1SA 0.8865
858 T6C 0.8862
859 SOR 0.8861
860 DUB 0.8859
861 6MH 0.8857
862 BEA 0.8856
863 RMN 0.8856
864 SHG 0.8856
865 TT4 0.8855
866 KIB 0.8855
867 42J 0.8854
868 51F 0.8854
869 4JM 0.8853
870 AMS 0.8852
871 2H5 0.8852
872 S2G 0.8851
873 7ZE 0.8851
874 AX2 0.8851
875 JBQ 0.8850
876 HXX 0.8849
877 A09 0.8849
878 FA3 0.8848
879 SR1 0.8846
880 MAK 0.8846
881 NDH 0.8845
882 5XB 0.8845
883 1GP 0.8844
884 AN0 0.8843
885 AH8 0.8842
886 JXN 0.8842
887 IPB 0.8840
888 RBL 0.8840
889 GLY PRO 0.8840
890 TCZ 0.8838
891 FUD 0.8838
892 GCB 0.8837
893 HPS 0.8837
894 0W1 0.8837
895 1DQ 0.8837
896 0LH 0.8837
897 NXA 0.8836
898 5ZE 0.8836
899 GXL 0.8836
900 2FQ 0.8834
901 3AY 0.8834
902 7MH 0.8834
903 271 0.8833
904 3WA 0.8833
905 TFB 0.8832
906 XXG 0.8831
907 4AV 0.8831
908 MBD 0.8831
909 0GZ 0.8830
910 TTY 0.8830
911 PQK 0.8827
912 AX3 0.8827
913 ALL 0.8827
914 BR8 0.8826
915 WOO 0.8826
916 R2B 0.8824
917 NOY 0.8824
918 2MY 0.8824
919 SC2 0.8823
920 BP9 0.8823
921 PYG 0.8822
922 PEQ 0.8822
923 ITN 0.8821
924 ZZ8 0.8821
925 AJY 0.8820
926 DAS 0.8820
927 TGX 0.8820
928 SWA 0.8820
929 IFL 0.8818
930 MAN 0.8816
931 YRL 0.8814
932 4JL 0.8814
933 2HG 0.8813
934 XSP 0.8811
935 H8N 0.8811
936 MAJ 0.8811
937 KBG 0.8811
938 VOH 0.8810
939 HA5 0.8810
940 TM4 0.8810
941 ERH 0.8810
942 5AN 0.8808
943 BK9 0.8808
944 EVA 0.8808
945 GMN 0.8805
946 329 0.8803
947 HYP 0.8803
948 VK3 0.8802
949 XYS 0.8802
950 LCN 0.8800
951 J9W 0.8800
952 1GN 0.8799
953 MAE 0.8797
954 9YL 0.8797
955 HCS 0.8796
956 E1T 0.8796
957 ICB 0.8796
958 15E 0.8796
959 FPY 0.8796
960 OTR 0.8795
961 2TQ 0.8795
962 TOF 0.8795
963 4NG 0.8793
964 GLN 0.8793
965 149 0.8793
966 OTD 0.8792
967 JZ4 0.8790
968 YIO 0.8790
969 SYA 0.8789
970 259 0.8788
971 TEP 0.8786
972 SXS 0.8786
973 3PG 0.8785
974 DMJ 0.8784
975 15N 0.8783
976 NVI 0.8783
977 FLM 0.8783
978 RIP 0.8783
979 GP9 0.8782
980 X6X 0.8781
981 X09 0.8780
982 FH2 0.8779
983 PFL 0.8778
984 TBP 0.8778
985 NQ 0.8777
986 PRY 0.8777
987 RXA 0.8777
988 3MC 0.8775
989 MPV 0.8775
990 WDL 0.8774
991 94N 0.8774
992 YSO 0.8774
993 ZWZ 0.8773
994 3MG 0.8772
995 3CE 0.8771
996 RAT 0.8770
997 C2B 0.8770
998 CH9 0.8769
999 JZ1 0.8768
1000 G2H 0.8766
1001 FDK 0.8766
1002 PBA 0.8766
1003 4P0 0.8765
1004 XDE 0.8765
1005 R67 0.8764
1006 2AS 0.8763
1007 MNM 0.8761
1008 2CM 0.8761
1009 285 0.8761
1010 N8P 0.8761
1011 8K2 0.8758
1012 3FA 0.8757
1013 FUC 0.8757
1014 FBT 0.8756
1015 TAR 0.8756
1016 JFD 0.8755
1017 0MK 0.8754
1018 9RW 0.8753
1019 GZ3 0.8753
1020 MBG 0.8751
1021 39O 0.8750
1022 HPY 0.8750
1023 AOS 0.8749
1024 PYQ 0.8749
1025 J6W 0.8748
1026 0V5 0.8747
1027 293 0.8747
1028 2HC 0.8747
1029 PEY 0.8746
1030 GVG 0.8746
1031 6FZ 0.8745
1032 2C9 0.8745
1033 ADK 0.8745
1034 BMA 0.8744
1035 SMN 0.8744
1036 XX3 0.8743
1037 JIF 0.8742
1038 DNC 0.8742
1039 BNF 0.8741
1040 7B3 0.8740
1041 ICF 0.8739
1042 23J 0.8737
1043 APG 0.8736
1044 T2C 0.8733
1045 DGL 0.8731
1046 3BU 0.8731
1047 DFU 0.8731
1048 IWT 0.8730
1049 N3W 0.8730
1050 X05 0.8730
1051 KMH 0.8729
1052 NVU 0.8728
1053 G3P 0.8725
1054 G3H 0.8725
1055 R9Y 0.8725
1056 R8V 0.8725
1057 1LN 0.8724
1058 LER 0.8723
1059 BVC 0.8720
1060 1KP 0.8717
1061 3MH 0.8715
1062 258 0.8715
1063 PLQ 0.8713
1064 PZM 0.8713
1065 DHY 0.8713
1066 PEZ 0.8713
1067 3MA 0.8712
1068 EGR 0.8711
1069 37T 0.8711
1070 MRY 0.8710
1071 280 0.8709
1072 PBE 0.8709
1073 SF9 0.8707
1074 JG8 0.8705
1075 CEE 0.8705
1076 FW5 0.8704
1077 CFF 0.8703
1078 SEP 0.8702
1079 5CL 0.8702
1080 LRH 0.8700
1081 NCT 0.8700
1082 6R8 0.8699
1083 FFP 0.8699
1084 CPZ 0.8697
1085 ORN 0.8697
1086 KIA 0.8694
1087 F4E 0.8693
1088 K17 0.8693
1089 24T 0.8693
1090 DEE 0.8691
1091 PRF 0.8690
1092 TBS 0.8689
1093 SIF 0.8689
1094 8XL 0.8688
1095 CRN 0.8686
1096 GJS 0.8684
1097 T9G 0.8684
1098 XXP 0.8682
1099 ABE 0.8678
1100 091 0.8676
1101 HQE 0.8675
1102 SPA 0.8675
1103 PXY 0.8674
1104 1A7 0.8674
1105 PHH 0.8671
1106 FPK 0.8671
1107 ESI 0.8670
1108 DA1 0.8669
1109 IPZ 0.8669
1110 LLQ 0.8669
1111 IHG 0.8668
1112 I2M 0.8668
1113 JUG 0.8667
1114 4V2 0.8666
1115 OKG 0.8665
1116 ESX 0.8665
1117 FPN 0.8664
1118 I4B 0.8664
1119 SF6 0.8661
1120 F5B 0.8660
1121 E7S 0.8658
1122 GF4 0.8657
1123 PCR 0.8657
1124 KFH 0.8657
1125 6X8 0.8657
1126 2CH 0.8656
1127 MLA 0.8656
1128 35C 0.8656
1129 AY4 0.8650
1130 LG4 0.8649
1131 PGA 0.8649
1132 G1O 0.8646
1133 PHE 0.8643
1134 M1Q 0.8642
1135 TAG 0.8642
1136 CLZ 0.8641
1137 3HG 0.8640
1138 0OC 0.8640
1139 ZB1 0.8639
1140 5NE 0.8639
1141 BEW 0.8638
1142 IOM 0.8637
1143 P2D 0.8637
1144 9ZE 0.8636
1145 4MV 0.8635
1146 DIG 0.8634
1147 GXE 0.8634
1148 95Z 0.8634
1149 152 0.8634
1150 BPN 0.8631
1151 25R 0.8628
1152 KYA 0.8628
1153 KDF 0.8628
1154 N6C 0.8627
1155 1WC 0.8626
1156 UEG 0.8624
1157 DGN 0.8621
1158 428 0.8621
1159 Q71 0.8620
1160 NDM 0.8617
1161 4CH 0.8616
1162 HTS 0.8615
1163 DAL DAL 0.8615
1164 9KT 0.8614
1165 MSR 0.8613
1166 L22 0.8613
1167 PHT 0.8613
1168 4HS 0.8611
1169 PJW 0.8611
1170 B5D 0.8611
1171 BDF 0.8610
1172 DQA 0.8606
1173 AHN 0.8606
1174 4VY 0.8600
1175 PGH 0.8597
1176 E60 0.8596
1177 I6G 0.8595
1178 8CL 0.8594
1179 J9N 0.8594
1180 4A5 0.8593
1181 IZC 0.8591
1182 FLC 0.8588
1183 IPH 0.8586
1184 2KT 0.8584
1185 GOO 0.8584
1186 92Z 0.8584
1187 8NX 0.8582
1188 C5J 0.8580
1189 EN1 0.8580
1190 BML 0.8580
1191 12B 0.8576
1192 CIT 0.8575
1193 3PY 0.8574
1194 QAS 0.8573
1195 8LG 0.8572
1196 JKZ 0.8570
1197 NLE 0.8566
1198 MBN 0.8566
1199 7VP 0.8564
1200 4JN 0.8564
1201 YTX 0.8564
1202 BSP 0.8562
1203 1X7 0.8562
1204 36Y 0.8561
1205 PH2 0.8559
1206 NTM 0.8558
1207 1AN 0.8555
1208 1XX 0.8554
1209 SNE 0.8553
1210 6KT 0.8551
1211 MLI 0.8550
1212 3QM 0.8550
1213 ICC 0.8546
1214 0FK 0.8535
1215 JU2 0.8534
1216 BNL 0.8528
1217 M6Z 0.8528
1218 TTO 0.8528
1219 7UC 0.8524
1220 Q02 0.8516
1221 CEJ 0.8514
1222 3QV 0.8504
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4AX9; Ligand: N5N; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 4ax9.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 1OSS BEN 47.0852
2 1FIW PBZ 49.4163
3 1PQ7 ARG 49.5536
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