Receptor
PDB id Resolution Class Description Source Keywords
4ih7 2.3 Å EC: 3.4.22.- HEPATITIS C VIRUS POLYMERASE NS5B (BK) WITH FRAGMENT-BASED C HEPATITIS C VIRUS FRAGMENT BASED DRUG DESIGN TRANSFERASE-TRANSFERASE INHIBITO
Ref.: DE NOVO FRAGMENT DESIGN: A MEDICINAL CHEMISTRY APPR FRAGMENT-BASED LEAD GENERATION. J.MED.CHEM. V. 56 3115 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:601;
A:601;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
1ER A:602;
B:602;
 Valid;
Valid;
 none;
none;
 Kd = 5.8 uM
227.302 C15 H17 N O CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MIB 2.3 Å EC: 3.4.22.- HEPATITIS C VIRUS POLYMERASE NS5B GENOTYPE 1B (BK) IN COMPLE COMPOUND 48 (N-({(3S)-1-[6-TERT-BUTYL-5-METHOXY-8-(2-OXO-1,D IHYDROPYRIDIN-3-YL)QUINOLIN-3-YL]PYRROLIDIN-3-YL}METHYL) ME THANESULFONAMIDE) HEPATITIS C VIRUS POLYMERASE TRANSFERASE NS5B TRANSFERASE-TRANSFERASE INHIBCOMPLEX
Ref.: DISCOVERY OF N-[4-[6-TERT-BUTYL-5-METHOXY-8-(6-METHOXY-2-OXO-1H-3-YL)-3-QUINOLYL]PHENYL]METHANESULFONAMIDE (RG7109) POTENT INHIBITOR OF THE HEPATITIS C VIRUS NS5B POLY J.MED.CHEM. V. 57 1914 2014
Members (107)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4JU6 ic50 = 0.67 uM 1O6 C24 H29 N O4 CC1CCC(CC1....
2 3UDL - KLI C31 H26 F5 N5 O2 CN1CCN(CC1....
3 3CJ5 Kd = 0.46 uM SX6 C22 H30 Br N3 O4 C[C@H]1C[C....
4 3SKA ic50 = 0.017 uM 053 C21 H15 F3 N4 O3 c1cc2c(cc1....
5 2JC0 ic50 = 20 uM 699 C22 H22 F3 N O5 S CC(C)C[C@]....
6 5PZK - 2N5 C20 H21 F N2 O5 S CC(C)Oc1cc....
7 2GIR ic50 = 140 nM NN3 C22 H27 N O3 S CC1CCC(CC1....
8 3TYV ic50 = 0.008 uM HI3 C25 H20 F3 N3 O4 S Cc1cc2c(cc....
9 3H2L - YAK C23 H23 F N4 O6 S2 CS(=O)(=O)....
10 4IH7 Kd = 5.8 uM 1ER C15 H17 N O CC(C)(C)c1....
11 3CIZ - SX1 C7 H6 Br N O2 c1cc(c(cc1....
12 4J06 ic50 = 4.6 uM 1JG C11 H7 Br Cl N O4 S2 c1cc(c(cc1....
13 3HKY Kd = 2.3 nM IX6 C30 H32 F N3 O6 S Cc1c(nc(o1....
14 3PHE ic50 = 0.016 uM C9A C30 H29 Cl F N3 O5 S CN1CCN(CC1....
15 3CJ2 Kd = 14 uM SX3 C14 H19 Br N2 O C[C@@H]1C[....
16 4J08 ic50 = 0.22 uM 1JH C20 H17 N O5 S Cc1ccc(cc1....
17 3BSA - 1PD C21 H22 N6 O6 S2 CC(C)CCN1C....
18 3LKH ic50 = 0.8 uM LT6 C23 H29 F N2 O4 CCCCN(C)C(....
19 2D3Z Ki = 0.23 uM FIH C18 H14 F N O4 S2 Cc1ccc(cc1....
20 3FQL Kd = 0.071 uM 79Z C22 H23 F N2 O5 S CNC(=O)c1c....
21 3CJ4 Kd = 0.31 uM SX5 C18 H23 Br N2 O4 C[C@@H]1C[....
22 4J0A ic50 = 0.16 uM 1JL C20 H17 N O5 S Cc1ccc(cc1....
23 3GYN ic50 = 0.047 uM B42 C24 H34 N4 O6 S2 CC(C)CC[C@....
24 4MKB ic50 = 3 nM 28V C24 H27 N3 O4 S CC(C)(C)c1....
25 4JVQ ic50 = 0.63 uM 1ML C32 H36 N2 O6 CC1CCC(CC1....
26 5PZL - 8XV C23 H21 F N4 O6 S c1cc2c(cc1....
27 2I1R ic50 = 9.7 uM VXR C18 H15 F N6 O2 S CCc1ccc(o1....
28 2D41 Ki = 0.15 uM SNH C19 H17 N O5 S3 Cc1ccc(c(c....
29 2WCX ic50 = 0.025 uM VGC C20 H21 N O2 S Cn1c2cc(sc....
30 2HWH ic50 = 2 uM RNA C16 H14 N2 O4 S2 Cc1ccc(cc1....
31 3H5U ic50 = 0.003 uM H5U C24 H26 F N3 O6 S2 CC(C)(C)[C....
32 6MVQ - K4M C27 H21 B F2 N4 O4 B(c1ccc(cc....
33 2DXS ic50 = 0.046 uM JTP C27 H30 N2 O4 CC(C)(C(=O....
34 3D5M ic50 < 0.01 uM 4MS C24 H25 Cl F N3 O6 S2 CC(C)(C)[C....
35 2YOJ ic50 = 5 nM 8Y6 C25 H14 F2 N4 O5 c1coc2c1c(....
36 4MIB ic50 = 0.2 nM 28M C25 H32 N4 O4 S CC(C)(C)c1....
37 4JJS - 1M9 C25 H28 F3 N O4 CC1CCC(CC1....
38 2D3U Ki = 0.12 uM CCT C19 H14 N2 O4 S2 Cc1ccccc1S....
39 4JU7 ic50 = 0.67 uM 1O6 C24 H29 N O4 CC1CCC(CC1....
40 3H98 ic50 < 0.005 uM B5P C19 H22 N6 O6 S2 CC(C)CCN1c....
41 6W4G ic50 = 11.1 uM SL4 C23 H20 F N3 O4 S CC(C)(C)[C....
42 4IH5 Kd = 78 uM 12R C11 H10 N6 c1ccc(cc1)....
43 2HWI ic50 = 3 uM VRX C18 H15 F N2 O4 S CCc1ccc(o1....
44 4MKA ic50 = 1 nM 2AY C26 H26 N2 O6 S CC(C)(C)c1....
45 3VQS ic50 = 0.0178 uM JT1 C28 H23 F7 N6 O4 S2 c1cc(ccc1C....
46 2BRK - CMF C27 H30 N2 O4 c1ccc(cc1)....
47 3CDE ic50 < 0.01 uM N3H C21 H23 N5 O6 S3 CC(C)CCN1C....
48 3CJ0 - SX2 C9 H9 Br N2 O3 c1cc(ncc1B....
49 6MVK - K4J C28 H23 B F2 N2 O6 B(c1ccc(cc....
50 3CVK ic50 < 0.01 uM N34 C21 H29 N5 O6 S2 CC(C)(C)CC....
51 4KAI - 1PV C27 H25 B F2 N2 O6 S B(c1ccc(cc....
52 4JU3 ic50 = 0.085 uM 1O1 C21 H17 N O7 S Cc1ccc(cc1....
53 4MK9 ic50 = 9 nM 28R C24 H25 N3 O5 S CC(C)(C)c1....
54 4KE5 - 1PV C27 H25 B F2 N2 O6 S B(c1ccc(cc....
55 3MF5 ic50 = 0.042 uM HJZ C24 H24 O2 S CC1CCC(CC1....
56 4KB7 - 690 C29 H28 B F N2 O6 S B1(c2ccccc....
57 5PZN - 8XP C27 H25 F N2 O3 CC(C)(C)NC....
58 4JJU - 1MB C21 H12 F5 N3 O2 c1cc(c(nc1....
59 1OS5 Kd = 0.14 uM NH1 C29 H37 N O4 S Cc1cc(c(cc....
60 3CO9 - 3MS C20 H23 N5 O6 S2 CC(C)CCN1C....
61 5CZB ic50 = 0.0257 uM 55W C26 H26 N7 O4 P Cc1ccc(c(c....
62 3CJ3 ic50 = 57 uM SX4 C18 H18 Br Cl N2 O c1ccc(c(c1....
63 3U4R ic50 = 0.039 uM 08F C27 H23 Cl N6 O6 S2 CS(=O)(=O)....
64 3GNW Kd = 0.79 nM XNC C34 H32 F N3 O5 S Cc1cccc(n1....
65 4MK8 ic50 = 1 nM 28Q C25 H30 N2 O4 S CC(C)(C)c1....
66 5TRK - 7HH C23 H19 Cl N2 O5 c1ccc(cc1)....
67 3HHK ic50 = 6 nM 77Z C23 H26 N4 O6 S CC(C)CCN1c....
68 3UPI ic50 = 6 nM 0C2 C25 H21 F2 N3 O5 S C[C@@H]1CO....
69 3D28 ic50 = 1.4 uM B34 C21 H20 N2 O4 S CC(C)[C@H]....
70 4IZ0 ic50 ~ 100 uM 2BI C10 H7 Cl3 N2 O3 S Cc1cc(no1)....
71 2O5D ic50 = 7 uM VR1 C24 H19 F N4 O7 S2 CCc1ccc(o1....
72 3CWJ ic50 < 0.01 uM 321 C22 H24 N4 O6 S3 CC(C)CCN1C....
73 3FQK ic50 = 0.081 uM 79Z C22 H23 F N2 O5 S CNC(=O)c1c....
74 2WHO ic50 = 0.02 uM VGI C20 H15 Br N2 O3 c1cc(cc(c1....
75 4EO6 Kd = 0.002 uM 0S2 C22 H31 N O3 S CC1CCC(CC1....
76 4EO8 Kd = 0.007 uM 0S3 C21 H30 N2 O3 S CC1CCC(CC1....
77 4TLR ic50 = 0.003 uM 33H C24 H33 N O5 S C[C@H](C[C....
78 4J04 ic50 = 11 uM 1JF C13 H7 Cl4 N O4 S c1cc(c(cc1....
79 3G86 ic50 = 0.005 uM T18 C25 H19 F2 N3 O6 S2 CS(=O)(=O)....
80 3QGF - 46F C24 H23 Cl F3 N5 O5 S COc1ccc(cc....
81 2JC1 ic50 = 3.8 uM 698 C24 H30 N2 O5 S CC(C)C[C@]....
82 4DRU Kd = 2.4 nM 0LN C32 H38 N4 O5 S CN1CCCCN(S....
83 2GC8 ic50 = 3.1 uM 885 C12 H15 Cl N2 O4 S Cc1cc(c(cc....
84 4IH6 Kd = 18 uM 1EP C17 H24 N2 O2 CC(C)[C@H]....
85 1GX5 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
86 3H59 - H59 C26 H30 F N3 O6 S2 CCC(C)(C)[....
87 3Q0Z - 23E C38 H38 N4 O5 c1ccc2c(c1....
88 1NHU Ki = 2.2 uM 153 C24 H18 Cl2 F3 N O3 c1ccc(cc1)....
89 1GX6 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
90 3U4O ic50 = 0.053 uM 08E C20 H15 Cl N4 O3 c1cc2c(cc1....
91 3E51 ic50 = 0.014 uM N35 C21 H28 N6 O6 S2 CC(C)CCN1C....
92 4JU4 ic50 = 0.34 uM 1O3 C19 H13 Br F N O5 S c1ccc(cc1)....
93 2GIQ ic50 = 131 nM NN2 C21 H18 F N3 O4 S c1ccc2c(c1....
94 2FVC ic50 = 32 nM 888 C21 H21 N3 O4 S CC(C)CCN1c....
95 3BR9 ic50 = 0.062 uM DEY C23 H25 N5 O6 S2 CC(C)CCN1C....
96 6MVP - K4S C26 H24 B F N2 O6 S B(c1ccc(cc....
97 5TRI - 7HM C22 H16 Cl N O4 c1ccc2c(c1....
98 3SKH ic50 = 0.9 uM 058 C22 H15 Cl F N O2 c1ccc(cc1)....
99 1YVF ic50 = 0.1 uM PH7 C22 H16 Br N O4 c1ccc(cc1)....
100 2BRL - POO C31 H39 N3 O3 C[N@]1CCC[....
101 2HAI ic50 = 0.53 uM PFI C21 H27 F O4 CC(C)Oc1cc....
102 3FRZ - AG0 C29 H37 N5 O3 CCc1cc(cc(....
103 4J02 - 1JE C16 H17 Cl2 N O3 CCC[C@]1(c....
104 3SKE ic50 = 0.032 uM 054 C22 H14 F3 N5 O4 S c1cc2c(cc1....
105 4KBI - 1C0 C28 H25 B F2 N2 O6 S B1(c2c(cc(....
106 3H5S ic50 = 0.005 uM H5S C27 H30 F N3 O6 S2 Cc1cc(ccc1....
107 3UPH ic50 = 15 nM 0C1 C24 H19 F2 N3 O5 S CS(=O)(=O)....
70% Homology Family (120)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4WTM - C C n/a n/a
2 4WTK - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
3 1YVX ic50 = 8 uM IPC C22 H21 N O3 S Cc1ccc(cc1....
4 1YVZ ic50 = 4.4 uM JPC C21 H17 Cl2 N O3 S CC(C)N(c1c....
5 4WTJ - A U C C n/a n/a
6 4WTL - U A C C n/a n/a
7 4JU6 ic50 = 0.67 uM 1O6 C24 H29 N O4 CC1CCC(CC1....
8 3UDL - KLI C31 H26 F5 N5 O2 CN1CCN(CC1....
9 3CJ5 Kd = 0.46 uM SX6 C22 H30 Br N3 O4 C[C@H]1C[C....
10 3SKA ic50 = 0.017 uM 053 C21 H15 F3 N4 O3 c1cc2c(cc1....
11 2JC0 ic50 = 20 uM 699 C22 H22 F3 N O5 S CC(C)C[C@]....
12 5PZK - 2N5 C20 H21 F N2 O5 S CC(C)Oc1cc....
13 2GIR ic50 = 140 nM NN3 C22 H27 N O3 S CC1CCC(CC1....
14 3TYV ic50 = 0.008 uM HI3 C25 H20 F3 N3 O4 S Cc1cc2c(cc....
15 3H2L - YAK C23 H23 F N4 O6 S2 CS(=O)(=O)....
16 4IH7 Kd = 5.8 uM 1ER C15 H17 N O CC(C)(C)c1....
17 3CIZ - SX1 C7 H6 Br N O2 c1cc(c(cc1....
18 4J06 ic50 = 4.6 uM 1JG C11 H7 Br Cl N O4 S2 c1cc(c(cc1....
19 3HKY Kd = 2.3 nM IX6 C30 H32 F N3 O6 S Cc1c(nc(o1....
20 3PHE ic50 = 0.016 uM C9A C30 H29 Cl F N3 O5 S CN1CCN(CC1....
21 3CJ2 Kd = 14 uM SX3 C14 H19 Br N2 O C[C@@H]1C[....
22 4J08 ic50 = 0.22 uM 1JH C20 H17 N O5 S Cc1ccc(cc1....
23 3BSA - 1PD C21 H22 N6 O6 S2 CC(C)CCN1C....
24 3LKH ic50 = 0.8 uM LT6 C23 H29 F N2 O4 CCCCN(C)C(....
25 2D3Z Ki = 0.23 uM FIH C18 H14 F N O4 S2 Cc1ccc(cc1....
26 3FQL Kd = 0.071 uM 79Z C22 H23 F N2 O5 S CNC(=O)c1c....
27 3CJ4 Kd = 0.31 uM SX5 C18 H23 Br N2 O4 C[C@@H]1C[....
28 4J0A ic50 = 0.16 uM 1JL C20 H17 N O5 S Cc1ccc(cc1....
29 3GYN ic50 = 0.047 uM B42 C24 H34 N4 O6 S2 CC(C)CC[C@....
30 4MKB ic50 = 3 nM 28V C24 H27 N3 O4 S CC(C)(C)c1....
31 4JVQ ic50 = 0.63 uM 1ML C32 H36 N2 O6 CC1CCC(CC1....
32 5PZL - 8XV C23 H21 F N4 O6 S c1cc2c(cc1....
33 2I1R ic50 = 9.7 uM VXR C18 H15 F N6 O2 S CCc1ccc(o1....
34 2D41 Ki = 0.15 uM SNH C19 H17 N O5 S3 Cc1ccc(c(c....
35 2WCX ic50 = 0.025 uM VGC C20 H21 N O2 S Cn1c2cc(sc....
36 2HWH ic50 = 2 uM RNA C16 H14 N2 O4 S2 Cc1ccc(cc1....
37 3H5U ic50 = 0.003 uM H5U C24 H26 F N3 O6 S2 CC(C)(C)[C....
38 6MVQ - K4M C27 H21 B F2 N4 O4 B(c1ccc(cc....
39 2DXS ic50 = 0.046 uM JTP C27 H30 N2 O4 CC(C)(C(=O....
40 3D5M ic50 < 0.01 uM 4MS C24 H25 Cl F N3 O6 S2 CC(C)(C)[C....
41 2YOJ ic50 = 5 nM 8Y6 C25 H14 F2 N4 O5 c1coc2c1c(....
42 4MIB ic50 = 0.2 nM 28M C25 H32 N4 O4 S CC(C)(C)c1....
43 4JJS - 1M9 C25 H28 F3 N O4 CC1CCC(CC1....
44 2D3U Ki = 0.12 uM CCT C19 H14 N2 O4 S2 Cc1ccccc1S....
45 4JU7 ic50 = 0.67 uM 1O6 C24 H29 N O4 CC1CCC(CC1....
46 3H98 ic50 < 0.005 uM B5P C19 H22 N6 O6 S2 CC(C)CCN1c....
47 6W4G ic50 = 11.1 uM SL4 C23 H20 F N3 O4 S CC(C)(C)[C....
48 4IH5 Kd = 78 uM 12R C11 H10 N6 c1ccc(cc1)....
49 2HWI ic50 = 3 uM VRX C18 H15 F N2 O4 S CCc1ccc(o1....
50 4MKA ic50 = 1 nM 2AY C26 H26 N2 O6 S CC(C)(C)c1....
51 3VQS ic50 = 0.0178 uM JT1 C28 H23 F7 N6 O4 S2 c1cc(ccc1C....
52 2BRK - CMF C27 H30 N2 O4 c1ccc(cc1)....
53 3CDE ic50 < 0.01 uM N3H C21 H23 N5 O6 S3 CC(C)CCN1C....
54 3CJ0 - SX2 C9 H9 Br N2 O3 c1cc(ncc1B....
55 6MVK - K4J C28 H23 B F2 N2 O6 B(c1ccc(cc....
56 3CVK ic50 < 0.01 uM N34 C21 H29 N5 O6 S2 CC(C)(C)CC....
57 4KAI - 1PV C27 H25 B F2 N2 O6 S B(c1ccc(cc....
58 4JU3 ic50 = 0.085 uM 1O1 C21 H17 N O7 S Cc1ccc(cc1....
59 4MK9 ic50 = 9 nM 28R C24 H25 N3 O5 S CC(C)(C)c1....
60 4KE5 - 1PV C27 H25 B F2 N2 O6 S B(c1ccc(cc....
61 3MF5 ic50 = 0.042 uM HJZ C24 H24 O2 S CC1CCC(CC1....
62 4KB7 - 690 C29 H28 B F N2 O6 S B1(c2ccccc....
63 5PZN - 8XP C27 H25 F N2 O3 CC(C)(C)NC....
64 4JJU - 1MB C21 H12 F5 N3 O2 c1cc(c(nc1....
65 1OS5 Kd = 0.14 uM NH1 C29 H37 N O4 S Cc1cc(c(cc....
66 3CO9 - 3MS C20 H23 N5 O6 S2 CC(C)CCN1C....
67 5CZB ic50 = 0.0257 uM 55W C26 H26 N7 O4 P Cc1ccc(c(c....
68 3CJ3 ic50 = 57 uM SX4 C18 H18 Br Cl N2 O c1ccc(c(c1....
69 3U4R ic50 = 0.039 uM 08F C27 H23 Cl N6 O6 S2 CS(=O)(=O)....
70 3GNW Kd = 0.79 nM XNC C34 H32 F N3 O5 S Cc1cccc(n1....
71 4MK8 ic50 = 1 nM 28Q C25 H30 N2 O4 S CC(C)(C)c1....
72 5TRK - 7HH C23 H19 Cl N2 O5 c1ccc(cc1)....
73 3HHK ic50 = 6 nM 77Z C23 H26 N4 O6 S CC(C)CCN1c....
74 3UPI ic50 = 6 nM 0C2 C25 H21 F2 N3 O5 S C[C@@H]1CO....
75 3D28 ic50 = 1.4 uM B34 C21 H20 N2 O4 S CC(C)[C@H]....
76 4IZ0 ic50 ~ 100 uM 2BI C10 H7 Cl3 N2 O3 S Cc1cc(no1)....
77 2O5D ic50 = 7 uM VR1 C24 H19 F N4 O7 S2 CCc1ccc(o1....
78 3CWJ ic50 < 0.01 uM 321 C22 H24 N4 O6 S3 CC(C)CCN1C....
79 3FQK ic50 = 0.081 uM 79Z C22 H23 F N2 O5 S CNC(=O)c1c....
80 2WHO ic50 = 0.02 uM VGI C20 H15 Br N2 O3 c1cc(cc(c1....
81 4EO6 Kd = 0.002 uM 0S2 C22 H31 N O3 S CC1CCC(CC1....
82 4EO8 Kd = 0.007 uM 0S3 C21 H30 N2 O3 S CC1CCC(CC1....
83 4TLR ic50 = 0.003 uM 33H C24 H33 N O5 S C[C@H](C[C....
84 4J04 ic50 = 11 uM 1JF C13 H7 Cl4 N O4 S c1cc(c(cc1....
85 3G86 ic50 = 0.005 uM T18 C25 H19 F2 N3 O6 S2 CS(=O)(=O)....
86 3QGF - 46F C24 H23 Cl F3 N5 O5 S COc1ccc(cc....
87 2JC1 ic50 = 3.8 uM 698 C24 H30 N2 O5 S CC(C)C[C@]....
88 4DRU Kd = 2.4 nM 0LN C32 H38 N4 O5 S CN1CCCCN(S....
89 2GC8 ic50 = 3.1 uM 885 C12 H15 Cl N2 O4 S Cc1cc(c(cc....
90 4IH6 Kd = 18 uM 1EP C17 H24 N2 O2 CC(C)[C@H]....
91 1GX5 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
92 3H59 - H59 C26 H30 F N3 O6 S2 CCC(C)(C)[....
93 3Q0Z - 23E C38 H38 N4 O5 c1ccc2c(c1....
94 1NHU Ki = 2.2 uM 153 C24 H18 Cl2 F3 N O3 c1ccc(cc1)....
95 1GX6 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
96 3U4O ic50 = 0.053 uM 08E C20 H15 Cl N4 O3 c1cc2c(cc1....
97 3E51 ic50 = 0.014 uM N35 C21 H28 N6 O6 S2 CC(C)CCN1C....
98 4JU4 ic50 = 0.34 uM 1O3 C19 H13 Br F N O5 S c1ccc(cc1)....
99 2GIQ ic50 = 131 nM NN2 C21 H18 F N3 O4 S c1ccc2c(c1....
100 2FVC ic50 = 32 nM 888 C21 H21 N3 O4 S CC(C)CCN1c....
101 3BR9 ic50 = 0.062 uM DEY C23 H25 N5 O6 S2 CC(C)CCN1C....
102 6MVP - K4S C26 H24 B F N2 O6 S B(c1ccc(cc....
103 5TRI - 7HM C22 H16 Cl N O4 c1ccc2c(c1....
104 3SKH ic50 = 0.9 uM 058 C22 H15 Cl F N O2 c1ccc(cc1)....
105 1YVF ic50 = 0.1 uM PH7 C22 H16 Br N O4 c1ccc(cc1)....
106 2BRL - POO C31 H39 N3 O3 C[N@]1CCC[....
107 2HAI ic50 = 0.53 uM PFI C21 H27 F O4 CC(C)Oc1cc....
108 3FRZ - AG0 C29 H37 N5 O3 CCc1cc(cc(....
109 4J02 - 1JE C16 H17 Cl2 N O3 CCC[C@]1(c....
110 3SKE ic50 = 0.032 uM 054 C22 H14 F3 N5 O4 S c1cc2c(cc1....
111 4KBI - 1C0 C28 H25 B F2 N2 O6 S B1(c2c(cc(....
112 3H5S ic50 = 0.005 uM H5S C27 H30 F N3 O6 S2 Cc1cc(ccc1....
113 3UPH ic50 = 15 nM 0C1 C24 H19 F2 N3 O5 S CS(=O)(=O)....
114 4KHM - 1PV C27 H25 B F2 N2 O6 S B(c1ccc(cc....
115 4KHR - 1PV C27 H25 B F2 N2 O6 S B(c1ccc(cc....
116 3HKW Kd = 80 nM IX6 C30 H32 F N3 O6 S Cc1c(nc(o1....
117 6MVO - K4P C27 H23 B Cl F N2 O6 S B1(c2c(cc(....
118 2XI3 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
119 3QGI - 33F C29 H30 F6 N6 O6 S CC[C@H](C)....
120 3QGH - 63F C28 H26 F6 N6 O6 S c1cc(ccc1C....
50% Homology Family (120)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4WTM - C C n/a n/a
2 4WTK - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
3 1YVX ic50 = 8 uM IPC C22 H21 N O3 S Cc1ccc(cc1....
4 1YVZ ic50 = 4.4 uM JPC C21 H17 Cl2 N O3 S CC(C)N(c1c....
5 4WTJ - A U C C n/a n/a
6 4WTL - U A C C n/a n/a
7 4JU6 ic50 = 0.67 uM 1O6 C24 H29 N O4 CC1CCC(CC1....
8 3UDL - KLI C31 H26 F5 N5 O2 CN1CCN(CC1....
9 3CJ5 Kd = 0.46 uM SX6 C22 H30 Br N3 O4 C[C@H]1C[C....
10 3SKA ic50 = 0.017 uM 053 C21 H15 F3 N4 O3 c1cc2c(cc1....
11 2JC0 ic50 = 20 uM 699 C22 H22 F3 N O5 S CC(C)C[C@]....
12 5PZK - 2N5 C20 H21 F N2 O5 S CC(C)Oc1cc....
13 2GIR ic50 = 140 nM NN3 C22 H27 N O3 S CC1CCC(CC1....
14 3TYV ic50 = 0.008 uM HI3 C25 H20 F3 N3 O4 S Cc1cc2c(cc....
15 3H2L - YAK C23 H23 F N4 O6 S2 CS(=O)(=O)....
16 4IH7 Kd = 5.8 uM 1ER C15 H17 N O CC(C)(C)c1....
17 3CIZ - SX1 C7 H6 Br N O2 c1cc(c(cc1....
18 4J06 ic50 = 4.6 uM 1JG C11 H7 Br Cl N O4 S2 c1cc(c(cc1....
19 3HKY Kd = 2.3 nM IX6 C30 H32 F N3 O6 S Cc1c(nc(o1....
20 3PHE ic50 = 0.016 uM C9A C30 H29 Cl F N3 O5 S CN1CCN(CC1....
21 3CJ2 Kd = 14 uM SX3 C14 H19 Br N2 O C[C@@H]1C[....
22 4J08 ic50 = 0.22 uM 1JH C20 H17 N O5 S Cc1ccc(cc1....
23 3BSA - 1PD C21 H22 N6 O6 S2 CC(C)CCN1C....
24 3LKH ic50 = 0.8 uM LT6 C23 H29 F N2 O4 CCCCN(C)C(....
25 2D3Z Ki = 0.23 uM FIH C18 H14 F N O4 S2 Cc1ccc(cc1....
26 3FQL Kd = 0.071 uM 79Z C22 H23 F N2 O5 S CNC(=O)c1c....
27 3CJ4 Kd = 0.31 uM SX5 C18 H23 Br N2 O4 C[C@@H]1C[....
28 4J0A ic50 = 0.16 uM 1JL C20 H17 N O5 S Cc1ccc(cc1....
29 3GYN ic50 = 0.047 uM B42 C24 H34 N4 O6 S2 CC(C)CC[C@....
30 4MKB ic50 = 3 nM 28V C24 H27 N3 O4 S CC(C)(C)c1....
31 4JVQ ic50 = 0.63 uM 1ML C32 H36 N2 O6 CC1CCC(CC1....
32 5PZL - 8XV C23 H21 F N4 O6 S c1cc2c(cc1....
33 2I1R ic50 = 9.7 uM VXR C18 H15 F N6 O2 S CCc1ccc(o1....
34 2D41 Ki = 0.15 uM SNH C19 H17 N O5 S3 Cc1ccc(c(c....
35 2WCX ic50 = 0.025 uM VGC C20 H21 N O2 S Cn1c2cc(sc....
36 2HWH ic50 = 2 uM RNA C16 H14 N2 O4 S2 Cc1ccc(cc1....
37 3H5U ic50 = 0.003 uM H5U C24 H26 F N3 O6 S2 CC(C)(C)[C....
38 6MVQ - K4M C27 H21 B F2 N4 O4 B(c1ccc(cc....
39 2DXS ic50 = 0.046 uM JTP C27 H30 N2 O4 CC(C)(C(=O....
40 3D5M ic50 < 0.01 uM 4MS C24 H25 Cl F N3 O6 S2 CC(C)(C)[C....
41 2YOJ ic50 = 5 nM 8Y6 C25 H14 F2 N4 O5 c1coc2c1c(....
42 4MIB ic50 = 0.2 nM 28M C25 H32 N4 O4 S CC(C)(C)c1....
43 4JJS - 1M9 C25 H28 F3 N O4 CC1CCC(CC1....
44 2D3U Ki = 0.12 uM CCT C19 H14 N2 O4 S2 Cc1ccccc1S....
45 4JU7 ic50 = 0.67 uM 1O6 C24 H29 N O4 CC1CCC(CC1....
46 3H98 ic50 < 0.005 uM B5P C19 H22 N6 O6 S2 CC(C)CCN1c....
47 6W4G ic50 = 11.1 uM SL4 C23 H20 F N3 O4 S CC(C)(C)[C....
48 4IH5 Kd = 78 uM 12R C11 H10 N6 c1ccc(cc1)....
49 2HWI ic50 = 3 uM VRX C18 H15 F N2 O4 S CCc1ccc(o1....
50 4MKA ic50 = 1 nM 2AY C26 H26 N2 O6 S CC(C)(C)c1....
51 3VQS ic50 = 0.0178 uM JT1 C28 H23 F7 N6 O4 S2 c1cc(ccc1C....
52 2BRK - CMF C27 H30 N2 O4 c1ccc(cc1)....
53 3CDE ic50 < 0.01 uM N3H C21 H23 N5 O6 S3 CC(C)CCN1C....
54 3CJ0 - SX2 C9 H9 Br N2 O3 c1cc(ncc1B....
55 6MVK - K4J C28 H23 B F2 N2 O6 B(c1ccc(cc....
56 3CVK ic50 < 0.01 uM N34 C21 H29 N5 O6 S2 CC(C)(C)CC....
57 4KAI - 1PV C27 H25 B F2 N2 O6 S B(c1ccc(cc....
58 4JU3 ic50 = 0.085 uM 1O1 C21 H17 N O7 S Cc1ccc(cc1....
59 4MK9 ic50 = 9 nM 28R C24 H25 N3 O5 S CC(C)(C)c1....
60 4KE5 - 1PV C27 H25 B F2 N2 O6 S B(c1ccc(cc....
61 3MF5 ic50 = 0.042 uM HJZ C24 H24 O2 S CC1CCC(CC1....
62 4KB7 - 690 C29 H28 B F N2 O6 S B1(c2ccccc....
63 5PZN - 8XP C27 H25 F N2 O3 CC(C)(C)NC....
64 4JJU - 1MB C21 H12 F5 N3 O2 c1cc(c(nc1....
65 1OS5 Kd = 0.14 uM NH1 C29 H37 N O4 S Cc1cc(c(cc....
66 3CO9 - 3MS C20 H23 N5 O6 S2 CC(C)CCN1C....
67 5CZB ic50 = 0.0257 uM 55W C26 H26 N7 O4 P Cc1ccc(c(c....
68 3CJ3 ic50 = 57 uM SX4 C18 H18 Br Cl N2 O c1ccc(c(c1....
69 3U4R ic50 = 0.039 uM 08F C27 H23 Cl N6 O6 S2 CS(=O)(=O)....
70 3GNW Kd = 0.79 nM XNC C34 H32 F N3 O5 S Cc1cccc(n1....
71 4MK8 ic50 = 1 nM 28Q C25 H30 N2 O4 S CC(C)(C)c1....
72 5TRK - 7HH C23 H19 Cl N2 O5 c1ccc(cc1)....
73 3HHK ic50 = 6 nM 77Z C23 H26 N4 O6 S CC(C)CCN1c....
74 3UPI ic50 = 6 nM 0C2 C25 H21 F2 N3 O5 S C[C@@H]1CO....
75 3D28 ic50 = 1.4 uM B34 C21 H20 N2 O4 S CC(C)[C@H]....
76 4IZ0 ic50 ~ 100 uM 2BI C10 H7 Cl3 N2 O3 S Cc1cc(no1)....
77 2O5D ic50 = 7 uM VR1 C24 H19 F N4 O7 S2 CCc1ccc(o1....
78 3CWJ ic50 < 0.01 uM 321 C22 H24 N4 O6 S3 CC(C)CCN1C....
79 3FQK ic50 = 0.081 uM 79Z C22 H23 F N2 O5 S CNC(=O)c1c....
80 2WHO ic50 = 0.02 uM VGI C20 H15 Br N2 O3 c1cc(cc(c1....
81 4EO6 Kd = 0.002 uM 0S2 C22 H31 N O3 S CC1CCC(CC1....
82 4EO8 Kd = 0.007 uM 0S3 C21 H30 N2 O3 S CC1CCC(CC1....
83 4TLR ic50 = 0.003 uM 33H C24 H33 N O5 S C[C@H](C[C....
84 4J04 ic50 = 11 uM 1JF C13 H7 Cl4 N O4 S c1cc(c(cc1....
85 3G86 ic50 = 0.005 uM T18 C25 H19 F2 N3 O6 S2 CS(=O)(=O)....
86 3QGF - 46F C24 H23 Cl F3 N5 O5 S COc1ccc(cc....
87 2JC1 ic50 = 3.8 uM 698 C24 H30 N2 O5 S CC(C)C[C@]....
88 4DRU Kd = 2.4 nM 0LN C32 H38 N4 O5 S CN1CCCCN(S....
89 2GC8 ic50 = 3.1 uM 885 C12 H15 Cl N2 O4 S Cc1cc(c(cc....
90 4IH6 Kd = 18 uM 1EP C17 H24 N2 O2 CC(C)[C@H]....
91 1GX5 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
92 3H59 - H59 C26 H30 F N3 O6 S2 CCC(C)(C)[....
93 3Q0Z - 23E C38 H38 N4 O5 c1ccc2c(c1....
94 1NHU Ki = 2.2 uM 153 C24 H18 Cl2 F3 N O3 c1ccc(cc1)....
95 1GX6 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
96 3U4O ic50 = 0.053 uM 08E C20 H15 Cl N4 O3 c1cc2c(cc1....
97 3E51 ic50 = 0.014 uM N35 C21 H28 N6 O6 S2 CC(C)CCN1C....
98 4JU4 ic50 = 0.34 uM 1O3 C19 H13 Br F N O5 S c1ccc(cc1)....
99 2GIQ ic50 = 131 nM NN2 C21 H18 F N3 O4 S c1ccc2c(c1....
100 2FVC ic50 = 32 nM 888 C21 H21 N3 O4 S CC(C)CCN1c....
101 3BR9 ic50 = 0.062 uM DEY C23 H25 N5 O6 S2 CC(C)CCN1C....
102 6MVP - K4S C26 H24 B F N2 O6 S B(c1ccc(cc....
103 5TRI - 7HM C22 H16 Cl N O4 c1ccc2c(c1....
104 3SKH ic50 = 0.9 uM 058 C22 H15 Cl F N O2 c1ccc(cc1)....
105 1YVF ic50 = 0.1 uM PH7 C22 H16 Br N O4 c1ccc(cc1)....
106 2BRL - POO C31 H39 N3 O3 C[N@]1CCC[....
107 2HAI ic50 = 0.53 uM PFI C21 H27 F O4 CC(C)Oc1cc....
108 3FRZ - AG0 C29 H37 N5 O3 CCc1cc(cc(....
109 4J02 - 1JE C16 H17 Cl2 N O3 CCC[C@]1(c....
110 3SKE ic50 = 0.032 uM 054 C22 H14 F3 N5 O4 S c1cc2c(cc1....
111 4KBI - 1C0 C28 H25 B F2 N2 O6 S B1(c2c(cc(....
112 3H5S ic50 = 0.005 uM H5S C27 H30 F N3 O6 S2 Cc1cc(ccc1....
113 3UPH ic50 = 15 nM 0C1 C24 H19 F2 N3 O5 S CS(=O)(=O)....
114 4KHM - 1PV C27 H25 B F2 N2 O6 S B(c1ccc(cc....
115 4KHR - 1PV C27 H25 B F2 N2 O6 S B(c1ccc(cc....
116 3HKW Kd = 80 nM IX6 C30 H32 F N3 O6 S Cc1c(nc(o1....
117 6MVO - K4P C27 H23 B Cl F N2 O6 S B1(c2c(cc(....
118 2XI3 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
119 3QGI - 33F C29 H30 F6 N6 O6 S CC[C@H](C)....
120 3QGH - 63F C28 H26 F6 N6 O6 S c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1ER; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1ER 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 1ER; Similar ligands found: 375
No: Ligand Similarity coefficient
1 AUV 0.9734
2 WVV 0.9718
3 TI7 0.9608
4 X6P 0.9574
5 5F8 0.9559
6 5FL 0.9541
7 AVA 0.9538
8 KCH 0.9479
9 49P 0.9472
10 Q4G 0.9453
11 EAJ 0.9441
12 IQQ 0.9427
13 1SF 0.9422
14 FCD 0.9398
15 JSX 0.9395
16 L5D 0.9377
17 0LO 0.9359
18 YE6 0.9348
19 5TZ 0.9337
20 S1D 0.9334
21 D1G 0.9327
22 5F5 0.9316
23 VBC 0.9290
24 LWS 0.9280
25 FC2 0.9270
26 K48 0.9268
27 VM1 0.9261
28 LFQ 0.9258
29 U7E 0.9256
30 5C1 0.9253
31 3GV 0.9249
32 1FL 0.9240
33 3C5 0.9235
34 G14 0.9234
35 XI7 0.9225
36 4FF 0.9215
37 LL1 0.9210
38 UN3 0.9181
39 ZZA 0.9172
40 0K7 0.9170
41 9CE 0.9166
42 LEL 0.9161
43 L1T 0.9161
44 NIR 0.9156
45 EQA 0.9155
46 RVE 0.9155
47 KWB 0.9147
48 XEV 0.9138
49 1XS 0.9137
50 H7S 0.9137
51 B2T 0.9131
52 27M 0.9128
53 KYN 0.9128
54 D1Y 0.9126
55 4G2 0.9126
56 FHI 0.9116
57 BBY 0.9110
58 4AU 0.9090
59 5B2 0.9090
60 B21 0.9086
61 5E5 0.9086
62 60L 0.9085
63 WCU 0.9082
64 GZV 0.9076
65 EWG 0.9075
66 TRP 0.9073
67 272 0.9072
68 28A 0.9071
69 36Z 0.9067
70 D9Z 0.9067
71 78Y 0.9066
72 1AJ 0.9065
73 2GD 0.9065
74 PUE 0.9062
75 GXD 0.9060
76 4GU 0.9057
77 QKU 0.9047
78 TIA 0.9046
79 DXK 0.9042
80 5P3 0.9040
81 F40 0.9030
82 II4 0.9029
83 VAO 0.9025
84 LNN 0.9019
85 D2G 0.9018
86 TIZ 0.9013
87 HH6 0.9011
88 U4J 0.9011
89 A9B 0.9000
90 ENG 0.8997
91 MEX 0.8994
92 PIQ 0.8993
93 PQT 0.8991
94 AED 0.8990
95 BVS 0.8987
96 JMG 0.8984
97 P4L 0.8983
98 774 0.8980
99 7L4 0.8978
100 2D2 0.8977
101 BXZ 0.8975
102 6HX 0.8975
103 3CX 0.8973
104 V2Z 0.8971
105 ODK 0.8969
106 B23 0.8967
107 FLF 0.8966
108 6MW 0.8964
109 PZ8 0.8959
110 M83 0.8956
111 5ZM 0.8956
112 0OL 0.8954
113 NNR 0.8954
114 6NZ 0.8953
115 X6W 0.8950
116 0NX 0.8950
117 MD6 0.8948
118 E9S 0.8946
119 79W 0.8944
120 4E5 0.8944
121 D3G 0.8941
122 5V7 0.8941
123 EV2 0.8938
124 R9G 0.8938
125 0DF 0.8938
126 SOV 0.8934
127 9UL 0.8929
128 MQS 0.8920
129 TCC 0.8920
130 1ZC 0.8918
131 TCR 0.8916
132 HKK 0.8915
133 2QU 0.8912
134 A7Q 0.8910
135 KLE 0.8900
136 28B 0.8900
137 B4O 0.8896
138 2GQ 0.8896
139 3D8 0.8894
140 X29 0.8892
141 TJM 0.8892
142 MIL 0.8891
143 NK5 0.8890
144 QR2 0.8890
145 5NN 0.8888
146 GNR 0.8887
147 Q2S 0.8884
148 9RM 0.8884
149 LTN 0.8884
150 3GX 0.8880
151 MMJ 0.8879
152 6HO 0.8879
153 KW7 0.8879
154 0OY 0.8876
155 OCZ 0.8875
156 A4G 0.8874
157 8CC 0.8873
158 GXG 0.8871
159 DTR 0.8870
160 KP2 0.8870
161 JCZ 0.8868
162 G30 0.8863
163 IQ5 0.8862
164 3VW 0.8860
165 0UL 0.8859
166 ID8 0.8859
167 WOE 0.8858
168 7VF 0.8857
169 URI 0.8853
170 DBE 0.8852
171 6J9 0.8852
172 WLH 0.8850
173 2JX 0.8849
174 C0W 0.8846
175 F63 0.8846
176 1HP 0.8845
177 S46 0.8843
178 6KN 0.8843
179 A73 0.8841
180 XDK 0.8839
181 CK2 0.8836
182 22F 0.8832
183 6DH 0.8830
184 2QV 0.8830
185 0RY 0.8828
186 NIY 0.8827
187 5AD 0.8827
188 C4E 0.8826
189 6DQ 0.8824
190 C0H 0.8824
191 5KN 0.8823
192 2LW 0.8821
193 9FH 0.8819
194 22L 0.8818
195 JF5 0.8818
196 X11 0.8817
197 4EU 0.8817
198 SSY 0.8817
199 1A7 0.8816
200 9JT 0.8813
201 THM 0.8812
202 Q9T 0.8810
203 BP7 0.8810
204 37E 0.8809
205 20D 0.8807
206 96Z 0.8806
207 3IL 0.8806
208 5AE 0.8806
209 HA6 0.8806
210 FCW 0.8805
211 GPU 0.8805
212 1V1 0.8803
213 LR2 0.8799
214 7O4 0.8798
215 VM7 0.8797
216 BSA 0.8796
217 RGK 0.8796
218 6QT 0.8795
219 6PB 0.8793
220 0FR 0.8791
221 CC5 0.8790
222 ELH 0.8786
223 AV4 0.8786
224 25F 0.8786
225 FHV 0.8783
226 NAL 0.8782
227 Q0K 0.8778
228 BPY 0.8773
229 2GE 0.8769
230 FMQ 0.8768
231 NKI 0.8768
232 DFL 0.8763
233 SZ5 0.8763
234 DBS 0.8761
235 Q2R 0.8761
236 BZE 0.8758
237 833 0.8758
238 DKX 0.8758
239 3F4 0.8755
240 B7H 0.8755
241 HSA 0.8754
242 8D6 0.8749
243 DKZ 0.8749
244 6C8 0.8748
245 BQ5 0.8748
246 VFM 0.8747
247 CC6 0.8746
248 ATX 0.8745
249 DDC 0.8743
250 1V3 0.8741
251 1V4 0.8741
252 C0Y 0.8740
253 38B 0.8736
254 X48 0.8736
255 LRW 0.8734
256 S8G 0.8734
257 795 0.8729
258 XIL 0.8728
259 36M 0.8728
260 ONZ 0.8728
261 XDL XYP 0.8728
262 EZN 0.8724
263 7ZL 0.8722
264 CJB 0.8721
265 WDW 0.8721
266 C53 0.8718
267 KF5 0.8715
268 4Z9 0.8714
269 Z15 0.8714
270 CK1 0.8713
271 6DE 0.8713
272 CU8 0.8710
273 9FG 0.8709
274 SOJ 0.8709
275 CBE 0.8709
276 AJ4 0.8708
277 6JO 0.8707
278 XDN XYP 0.8707
279 XYP XDN 0.8706
280 G1P 0.8705
281 3RP 0.8703
282 PZX 0.8701
283 TQL 0.8701
284 6J3 0.8699
285 GPK 0.8697
286 ZME 0.8696
287 DIF 0.8695
288 Z57 0.8695
289 6C9 0.8695
290 EYJ 0.8694
291 W8L 0.8693
292 3AD 0.8692
293 90G 0.8690
294 ZMG 0.8690
295 ISC 0.8690
296 P9I 0.8689
297 92G 0.8689
298 AMR 0.8687
299 ZYW 0.8681
300 TLF 0.8677
301 4NR 0.8676
302 CDJ 0.8674
303 RBV 0.8673
304 4F8 0.8672
305 TR4 0.8672
306 XIF XYP 0.8672
307 9XZ 0.8667
308 DK4 0.8665
309 OA1 0.8663
310 G54 0.8661
311 GPQ 0.8655
312 AVX 0.8653
313 NWD 0.8653
314 RK4 0.8652
315 4L2 0.8652
316 H2W 0.8649
317 5WN 0.8645
318 W29 0.8644
319 P93 0.8643
320 LI7 0.8643
321 M7P 0.8642
322 EQW 0.8640
323 5H6 0.8638
324 XYP XIF 0.8637
325 7M2 0.8636
326 15Q 0.8635
327 657 0.8635
328 IQW 0.8634
329 M4N 0.8634
330 EYY 0.8632
331 U12 0.8631
332 6FG 0.8631
333 0OM 0.8630
334 VT3 0.8630
335 4FP 0.8629
336 0QA 0.8628
337 XZ8 0.8627
338 H35 0.8626
339 7M5 0.8626
340 AZY 0.8625
341 VJJ 0.8623
342 LJ3 0.8621
343 3WJ 0.8618
344 HRX 0.8611
345 SQV 0.8609
346 5E4 0.8608
347 E9L 0.8608
348 22T 0.8607
349 1PS 0.8606
350 F91 0.8603
351 Z16 0.8600
352 EFX 0.8599
353 F6R 0.8599
354 NFZ 0.8593
355 F16 0.8592
356 ERZ 0.8589
357 UMP 0.8589
358 7G2 0.8588
359 2OH 0.8583
360 6GP 0.8583
361 M3W 0.8577
362 THU 0.8574
363 AZC 0.8572
364 FC3 0.8572
365 GNW 0.8569
366 17C 0.8560
367 TB8 0.8548
368 B98 0.8548
369 TVC 0.8546
370 38E 0.8538
371 NTF 0.8535
372 DE7 0.8533
373 3Y7 0.8527
374 Q92 0.8524
375 683 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MIB; Ligand: 28M; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4mib.bio2) has 65 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4MIB; Ligand: 28M; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4mib.bio1) has 79 residues
No: Leader PDB Ligand Sequence Similarity
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