Receptor
PDB id Resolution Class Description Source Keywords
1ghv 1.85 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
120 H:246;
 Valid;
 none;
 Ki = 45 uM
254.267 C13 H12 N5 O c1cc2...
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: 120; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 120 1 1
2 121 0.466667 0.698113
3 801 0.453333 0.692308
4 BMZ 0.452055 0.692308
5 CR4 0.44 0.686275
6 802 0.435897 0.636364
7 785 0.433735 0.603448
8 123 0.43038 0.642857
9 334 0.407407 0.625
Similar Ligands (3D)
Ligand no: 1; Ligand: 120; Similar ligands found: 567
No: Ligand Similarity coefficient
1 124 1.0000
2 122 0.9836
3 MI2 0.9612
4 0NJ 0.9603
5 23M 0.9586
6 205 0.9567
7 907 0.9554
8 3MI 0.9462
9 AO 0.9428
10 5OR 0.9366
11 LC1 0.9366
12 47X 0.9363
13 22M 0.9339
14 WG8 0.9332
15 1R5 0.9332
16 7G2 0.9326
17 1UR 0.9322
18 397 0.9317
19 MBT 0.9293
20 97K 0.9292
21 ZTW 0.9283
22 3K1 0.9282
23 27F 0.9282
24 0UL 0.9276
25 ESJ 0.9260
26 08C 0.9250
27 29F 0.9247
28 EES 0.9247
29 F36 0.9242
30 OLU 0.9238
31 1UT 0.9237
32 1V0 0.9236
33 G2V 0.9232
34 4UM 0.9230
35 135 0.9227
36 5TU 0.9226
37 1DR 0.9218
38 SJR 0.9214
39 1UZ 0.9205
40 D26 0.9200
41 8M5 0.9198
42 JL7 0.9194
43 A63 0.9193
44 Z3R 0.9193
45 6H2 0.9192
46 A05 0.9190
47 A8D 0.9182
48 WA1 0.9181
49 GJG 0.9181
50 5TT 0.9180
51 245 0.9174
52 PIC 0.9172
53 1V8 0.9170
54 F08 0.9168
55 1Q1 0.9166
56 FYR 0.9165
57 CX6 0.9163
58 C0V 0.9161
59 U14 0.9160
60 7EH 0.9157
61 6BK 0.9157
62 FCW 0.9151
63 N5B 0.9149
64 5S9 0.9146
65 D25 0.9145
66 72H 0.9144
67 VGV 0.9141
68 PRL 0.9140
69 A64 0.9139
70 A26 0.9135
71 U13 0.9127
72 TEF 0.9121
73 DFL 0.9120
74 20N 0.9119
75 1V1 0.9119
76 1HP 0.9116
77 S98 0.9114
78 4FC 0.9113
79 2WU 0.9107
80 BX4 0.9106
81 BXS 0.9101
82 LU2 0.9097
83 20D 0.9096
84 1V4 0.9095
85 06R 0.9094
86 P4T 0.9093
87 7FZ 0.9092
88 ATU 0.9091
89 C4E 0.9089
90 O53 0.9089
91 90G 0.9088
92 IDZ 0.9087
93 LZ4 0.9081
94 39R 0.9081
95 GEN 0.9081
96 3F4 0.9080
97 MR4 0.9080
98 68C 0.9080
99 BBP 0.9079
100 PIQ 0.9078
101 AZB 0.9076
102 RF2 0.9076
103 041 0.9075
104 A73 0.9075
105 RGK 0.9073
106 Q92 0.9073
107 40N 0.9073
108 789 0.9072
109 0OK 0.9070
110 18E 0.9069
111 S45 0.9067
112 2OX 0.9062
113 6P3 0.9061
114 Y27 0.9060
115 SZ5 0.9060
116 5XM 0.9059
117 31F 0.9058
118 ESR 0.9057
119 Q8D 0.9052
120 GN5 0.9052
121 RSV 0.9051
122 F18 0.9048
123 ZAR 0.9047
124 U55 0.9046
125 TVC 0.9045
126 1V3 0.9044
127 NPS 0.9043
128 ZSP 0.9040
129 AJG 0.9038
130 FBC 0.9036
131 AD6 0.9035
132 4CN 0.9034
133 L2K 0.9032
134 CUE 0.9030
135 6QT 0.9029
136 S0A 0.9028
137 A45 0.9022
138 1XS 0.9022
139 NIF 0.9021
140 SDN 0.9019
141 PNW 0.9019
142 272 0.9018
143 IIH 0.9017
144 0MB 0.9016
145 S1C 0.9011
146 LR8 0.9011
147 4AJ 0.9011
148 0DF 0.9007
149 NKI 0.9006
150 MR5 0.9006
151 BC5 0.9006
152 LIG 0.9006
153 W2E 0.9004
154 XAV 0.9004
155 72G 0.9002
156 6T5 0.9000
157 BP5 0.8999
158 J84 0.8999
159 Q8G 0.8998
160 H4B 0.8992
161 5DE 0.8991
162 LUM 0.8990
163 STR 0.8988
164 2J1 0.8986
165 EQU 0.8985
166 KWV 0.8985
167 108 0.8985
168 91F 0.8983
169 BSU 0.8983
170 E98 0.8982
171 UAY 0.8982
172 28A 0.8981
173 EST 0.8978
174 15Q 0.8978
175 25F 0.8977
176 HRM 0.8977
177 7EL 0.8973
178 LZ7 0.8971
179 6DQ 0.8970
180 HRD 0.8970
181 K0G 0.8969
182 KLS 0.8968
183 5ER 0.8968
184 AP6 0.8966
185 D64 0.8966
186 WF4 0.8965
187 MKN 0.8961
188 P7V 0.8961
189 5WW 0.8960
190 YE6 0.8960
191 EI1 0.8960
192 G1L 0.8957
193 J3B 0.8957
194 H75 0.8953
195 U12 0.8953
196 CIU 0.8953
197 X8I 0.8952
198 7KE 0.8948
199 6FX 0.8946
200 4UE 0.8946
201 RHN 0.8945
202 NDD 0.8944
203 1Q2 0.8944
204 521 0.8943
205 ECS 0.8942
206 NOC 0.8942
207 ARJ 0.8942
208 AGI 0.8939
209 5WK 0.8933
210 TID 0.8933
211 6VW 0.8932
212 E92 0.8930
213 FY8 0.8929
214 BIO 0.8929
215 Q0K 0.8927
216 833 0.8923
217 L43 0.8921
218 7ZO 0.8920
219 Q11 0.8919
220 2P3 0.8919
221 196 0.8919
222 S0D 0.8918
223 17M 0.8917
224 M4N 0.8916
225 83D 0.8916
226 72D 0.8915
227 738 0.8913
228 M3W 0.8912
229 F40 0.8907
230 2QU 0.8905
231 T21 0.8902
232 SNJ 0.8902
233 JAH 0.8900
234 0RY 0.8899
235 5VU 0.8899
236 J3Z 0.8898
237 9EG 0.8898
238 MRE 0.8897
239 4YE 0.8897
240 QS4 0.8897
241 1ZC 0.8896
242 JVB 0.8893
243 LJ5 0.8892
244 0K7 0.8892
245 P4L 0.8892
246 STL 0.8892
247 5ZM 0.8891
248 MT6 0.8891
249 4AB 0.8891
250 HBI 0.8890
251 H2B 0.8890
252 338 0.8888
253 J2N 0.8886
254 CT0 0.8884
255 ITE 0.8881
256 2ZI 0.8880
257 8V8 0.8879
258 VUP 0.8879
259 MR6 0.8878
260 0DJ 0.8878
261 0SY 0.8878
262 PLO 0.8877
263 AQN 0.8874
264 9C8 0.8874
265 AV7 0.8873
266 MBE 0.8873
267 IY5 0.8873
268 2L1 0.8873
269 109 0.8873
270 LI7 0.8872
271 4ZW 0.8872
272 ZUF 0.8870
273 A6W 0.8870
274 7L4 0.8869
275 HMO 0.8868
276 WLH 0.8867
277 3WL 0.8866
278 ERJ 0.8866
279 LJ2 0.8866
280 TFX 0.8865
281 IPJ 0.8863
282 E9L 0.8860
283 6JM 0.8860
284 AX1 0.8859
285 ASD 0.8859
286 MHB 0.8859
287 K7H 0.8858
288 5SD 0.8857
289 AOM 0.8857
290 613 0.8852
291 A9B 0.8852
292 92O 0.8850
293 ERZ 0.8850
294 PQM 0.8849
295 0LA 0.8849
296 AJ1 0.8849
297 2UV 0.8848
298 KMP 0.8848
299 XYP XYP 0.8847
300 4DE 0.8845
301 3Q0 0.8844
302 PIT 0.8843
303 QIV 0.8842
304 FHV 0.8842
305 JF8 0.8842
306 ZRK 0.8840
307 797 0.8839
308 DFV 0.8837
309 NAR 0.8835
310 7G0 0.8835
311 VT3 0.8832
312 47V 0.8832
313 HPX 0.8831
314 U4J 0.8831
315 7FU 0.8830
316 JRO 0.8830
317 M83 0.8827
318 697 0.8826
319 2JP 0.8826
320 XDN XYP 0.8825
321 XYP XDN 0.8825
322 E6Q 0.8824
323 H2W 0.8823
324 LFN 0.8823
325 6FB 0.8823
326 32F 0.8822
327 NVS 0.8821
328 W8L 0.8821
329 QUE 0.8820
330 HHB 0.8820
331 Z21 0.8819
332 6JO 0.8818
333 FSE 0.8815
334 6F3 0.8813
335 XYS XYP 0.8813
336 E8Z 0.8813
337 0S0 0.8812
338 CDJ 0.8812
339 ESZ 0.8812
340 4AU 0.8810
341 4ZF 0.8810
342 F1T 0.8803
343 PNG 0.8803
344 DDC 0.8803
345 26C 0.8801
346 HDI 0.8801
347 AVX 0.8801
348 A5Q 0.8799
349 KWD 0.8799
350 9CE 0.8799
351 JMG 0.8799
352 L02 0.8799
353 BON 0.8797
354 JA5 0.8794
355 SAU 0.8794
356 CMP 0.8793
357 XYS XYS 0.8793
358 HH6 0.8793
359 NRA 0.8790
360 147 0.8790
361 LWA 0.8789
362 Z94 0.8787
363 1OT 0.8786
364 PNJ 0.8785
365 5SJ 0.8784
366 O9Q 0.8780
367 DX7 0.8780
368 8CC 0.8780
369 2QV 0.8780
370 7LU 0.8779
371 F5N 0.8778
372 KU1 0.8778
373 7N8 0.8778
374 DHT 0.8777
375 0ON 0.8777
376 72E 0.8776
377 YZ9 0.8776
378 5XL 0.8775
379 AOX 0.8773
380 IW4 0.8773
381 O9Z 0.8771
382 6WL 0.8771
383 79X 0.8771
384 ZEA 0.8769
385 O9T 0.8767
386 26A 0.8766
387 51Y 0.8766
388 D59 0.8765
389 PJK 0.8764
390 3SU 0.8764
391 PQS 0.8762
392 9JT 0.8760
393 XIL 0.8760
394 XDL XYP 0.8759
395 2JX 0.8759
396 X2M 0.8759
397 HUL 0.8758
398 88X 0.8757
399 BBY 0.8755
400 OUG 0.8755
401 GBJ 0.8754
402 Y3L 0.8754
403 X2L 0.8751
404 1UW 0.8750
405 UN9 0.8750
406 GA6 0.8750
407 6ZE 0.8749
408 END 0.8749
409 62D 0.8749
410 II4 0.8749
411 1FL 0.8747
412 NZ4 0.8746
413 NBZ GLA 0.8745
414 FTK 0.8745
415 IDD 0.8743
416 6WU 0.8743
417 9YD 0.8742
418 H32 0.8740
419 3N0 0.8737
420 BIH 0.8734
421 1CA 0.8733
422 3JC 0.8732
423 2PK 0.8732
424 WV7 0.8731
425 4P9 0.8731
426 2PV 0.8731
427 1CE 0.8729
428 JCQ 0.8729
429 4B8 0.8729
430 CWE 0.8729
431 F02 0.8728
432 90M 0.8726
433 YE7 0.8725
434 DX2 0.8725
435 T1N 0.8724
436 EZL 0.8724
437 IW3 0.8723
438 QME 0.8723
439 OSY 0.8723
440 HNT 0.8722
441 MQR 0.8721
442 CBE 0.8721
443 DEH 0.8720
444 1EL 0.8720
445 A5H 0.8720
446 5EZ 0.8719
447 4GU 0.8719
448 HWB 0.8716
449 4HG 0.8716
450 IYX 0.8715
451 38E 0.8714
452 6MD 0.8712
453 OUA 0.8712
454 BRY 0.8710
455 0FR 0.8708
456 J45 0.8708
457 35K 0.8708
458 1EB 0.8703
459 2D2 0.8703
460 ENY 0.8698
461 XCG 0.8698
462 27M 0.8697
463 KLE 0.8696
464 DX8 0.8695
465 0XR 0.8695
466 7SB 0.8694
467 5AD 0.8694
468 HPK 0.8692
469 6JP 0.8691
470 TES 0.8690
471 5M2 0.8690
472 3D8 0.8690
473 UN3 0.8690
474 MYU 0.8688
475 ESM 0.8686
476 BVB 0.8686
477 1SX 0.8686
478 JTN 0.8686
479 LJ1 0.8685
480 36K 0.8685
481 KW7 0.8684
482 TFQ 0.8683
483 ZRL 0.8683
484 BER 0.8680
485 8D6 0.8680
486 1VG 0.8679
487 JCZ 0.8679
488 3GX 0.8678
489 0X2 0.8671
490 J1K 0.8671
491 NU3 0.8667
492 WCU 0.8662
493 R18 0.8661
494 LOT 0.8661
495 6DH 0.8660
496 5E5 0.8660
497 4FF 0.8656
498 GJB 0.8655
499 S60 0.8655
500 M5A 0.8654
501 517 0.8654
502 4KN 0.8653
503 57D 0.8651
504 4NR 0.8647
505 FNT 0.8645
506 FZM 0.8645
507 FMH 0.8644
508 NE2 0.8643
509 6SD 0.8638
510 A9E 0.8636
511 E3X 0.8636
512 GVI 0.8635
513 A5W 0.8634
514 CG 0.8634
515 ADL 0.8634
516 IQW 0.8634
517 JMM 0.8633
518 J2W 0.8631
519 IW5 0.8629
520 J8D 0.8628
521 DZ3 0.8627
522 HCC 0.8625
523 3VS 0.8625
524 J38 0.8625
525 SLX 0.8624
526 ECZ 0.8624
527 52F 0.8620
528 4G2 0.8620
529 JBZ 0.8619
530 SWX 0.8618
531 8E3 0.8618
532 39Z 0.8618
533 3VQ 0.8615
534 5Z5 0.8615
535 T5J 0.8610
536 01I 0.8607
537 HV4 0.8604
538 244 0.8601
539 IXM 0.8600
540 5B2 0.8593
541 ICD 0.8587
542 WW3 0.8584
543 EAE 0.8580
544 N9M 0.8579
545 G14 0.8578
546 NE1 0.8577
547 136 0.8577
548 28B 0.8576
549 BGC BGC 0.8573
550 IGP 0.8569
551 S62 0.8568
552 8XY 0.8567
553 5TO 0.8565
554 TRU 0.8562
555 B1J 0.8560
556 IS2 0.8559
557 AT2 0.8558
558 PCQ 0.8554
559 55H 0.8553
560 TCR 0.8552
561 BGU 0.8552
562 VC3 0.8544
563 ODK 0.8542
564 QNM 0.8540
565 T98 0.8539
566 XIF XYP 0.8534
567 ZHA 0.8518
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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