Receptor
PDB id Resolution Class Description Source Keywords
5vo4 2.35 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE ANDROGEN RECEPTOR LIGAND BINDING DO COMPLEX WITH 5-(2-FLUORO-4-HYDROXYPHENYL)-1-METHYL-1H-PYRROC ARBONITRILE HOMO SAPIENS RECEPTOR SMALL MOLECULE INHIBITOR HORMONE RECEPTOR
Ref.: STRUCTURE-BASED APPROACH TO IDENTIFY 5-[4-HYDROXYPHENYL]PYRROLE-2-CARBONITRILE DERIVATIV POTENT AND TISSUE SELECTIVE ANDROGEN RECEPTOR MODUL J. MED. CHEM. V. 60 6451 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
9FG A:1001;
 Valid;
 none;
 ic50 = 3.2 nM
216.211 C12 H9 F N2 O Cn1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AX9 1.65 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE ANDROGEN RECEPTOR LIGAND BINDING DO COMPLEX WITH R-3 HOMO SAPIENS TRANSCRIPTION
Ref.: STRUCTURAL BASIS FOR ACCOMMODATION OF NONSTEROIDAL IN THE ANDROGEN RECEPTOR J.BIOL.CHEM. V. 280 37747 2005
Members (50)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 1XNN Ki = 0.5 nM HYQ C20 H18 N2 O4 c1ccc2c(c1....
2 2AMA - DHT C19 H30 O2 C[C@]12CCC....
3 2AX9 Ki = 0.3 nM BHM C11 H10 Br F3 N2 O4 C[C@](CBr)....
4 2AMB - 17H C21 H28 O2 CC[C@@]1(C....
5 4OEA - DHT C19 H30 O2 C[C@]12CCC....
6 3B67 - B67 C17 H10 F8 N2 O5 C[C@](COc1....
7 2PIU - DHT C19 H30 O2 C[C@]12CCC....
8 2YLO - TES C19 H28 O2 C[C@]12CC[....
9 2PNU - ENM C27 H36 F2 O3 C[C@]12CCC....
10 4HLW - 17W C15 H14 N2 O S c1ccc(cc1)....
11 2PIQ - RB1 C16 H19 N5 O CC(C)(C)n1....
12 2HVC - LGD C14 H9 F9 N2 O c1cc2c(cc1....
13 2OZ7 - CA4 C24 H29 Cl O4 CC(=O)[C@]....
14 3B65 - 3B6 C18 H14 I N3 O3 C[C@](COc1....
15 5CJ6 Ki = 2.03 nM 51Y C14 H17 Cl N2 O Cc1c(ccc(c....
16 4QL8 ic50 = 0.7 nM JAD C15 H16 Cl N3 O2 Cc1c(ccc(c....
17 3B5R - B5R C18 H13 Cl F4 N2 O3 C[C@](COc1....
18 2AX8 - FHM C17 H14 F4 N2 O5 C[C@](COc1....
19 2QPY - DHT C19 H30 O2 C[C@]12CCC....
20 1T7T - DHT C19 H30 O2 C[C@]12CCC....
21 1Z95 Ki = 76 nM 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
22 3RLJ - RLJ C19 H14 F3 N3 O3 C[C@](COc1....
23 2AX7 - FHM C17 H14 F4 N2 O5 C[C@](COc1....
24 3ZQT - TES C19 H28 O2 C[C@]12CC[....
25 1GS4 - ZK5 C21 H29 F O5 C[C@]12CCC....
26 2AM9 - TES C19 H28 O2 C[C@]12CC[....
27 3B66 - B66 C18 H16 F3 N3 O5 C[C@](COc1....
28 2PIT - DHT C19 H30 O2 C[C@]12CCC....
29 3G0W Ki = 0.3 nM LGB C15 H13 Cl F3 N3 O2 Cc1c(ccc(c....
30 1I38 - DHT C19 H30 O2 C[C@]12CCC....
31 2PIP - ICO C9 H7 N O2 c1ccc2c(c1....
32 5VO4 ic50 = 3.2 nM 9FG C12 H9 F N2 O Cn1c(ccc1c....
33 1E3G - R18 C19 H24 O2 C[C@@]1(CC....
34 3RLL - RLL C23 H16 F3 N3 O3 C[C@](COc1....
35 2AXA Ki = 6.1 nM FHM C17 H14 F4 N2 O5 C[C@](COc1....
36 2IHQ Ki = 3.2 nM LG7 C17 H13 N3 O3 c1ccc2c(c1....
37 3B68 - B68 C19 H18 F3 N3 O6 CC(=O)Nc1c....
38 2PIV - T3 C15 H12 I3 N O4 c1cc(c(cc1....
39 2PIX - FLF C14 H10 F3 N O2 c1ccc(c(c1....
40 2PIR - NK C7 H6 O2 c1ccc(c(c1....
41 2YHD Ki = 23 uM AV6 C17 H14 N2 O2 c1cc2cccc3....
42 2AX6 - HFT C11 H11 F3 N2 O4 CC(C)(C(=O....
43 2PKL - DHT C19 H30 O2 C[C@]12CCC....
44 2PIO - DHT C19 H30 O2 C[C@]12CCC....
45 1XQ3 - R18 C19 H24 O2 C[C@@]1(CC....
46 5V8Q ic50 = 3.6 nM 97A C14 H13 F3 N2 O2 CC[C@H]1[C....
47 4OJB - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
48 2YLQ - TES C19 H28 O2 C[C@]12CC[....
49 1I37 - DHT C19 H30 O2 C[C@]12CCC....
50 2YLP - TES C19 H28 O2 C[C@]12CC[....
70% Homology Family (86)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 3RY9 - 1CA C21 H30 O3 C[C@]12CC[....
2 1XNN Ki = 0.5 nM HYQ C20 H18 N2 O4 c1ccc2c(c1....
3 2AMA - DHT C19 H30 O2 C[C@]12CCC....
4 2AX9 Ki = 0.3 nM BHM C11 H10 Br F3 N2 O4 C[C@](CBr)....
5 2AMB - 17H C21 H28 O2 CC[C@@]1(C....
6 4OEA - DHT C19 H30 O2 C[C@]12CCC....
7 3B67 - B67 C17 H10 F8 N2 O5 C[C@](COc1....
8 2PIU - DHT C19 H30 O2 C[C@]12CCC....
9 2YLO - TES C19 H28 O2 C[C@]12CC[....
10 2PNU - ENM C27 H36 F2 O3 C[C@]12CCC....
11 4HLW - 17W C15 H14 N2 O S c1ccc(cc1)....
12 2PIQ - RB1 C16 H19 N5 O CC(C)(C)n1....
13 2HVC - LGD C14 H9 F9 N2 O c1cc2c(cc1....
14 2OZ7 - CA4 C24 H29 Cl O4 CC(=O)[C@]....
15 3B65 - 3B6 C18 H14 I N3 O3 C[C@](COc1....
16 5CJ6 Ki = 2.03 nM 51Y C14 H17 Cl N2 O Cc1c(ccc(c....
17 4QL8 ic50 = 0.7 nM JAD C15 H16 Cl N3 O2 Cc1c(ccc(c....
18 3B5R - B5R C18 H13 Cl F4 N2 O3 C[C@](COc1....
19 2AX8 - FHM C17 H14 F4 N2 O5 C[C@](COc1....
20 2QPY - DHT C19 H30 O2 C[C@]12CCC....
21 1T7T - DHT C19 H30 O2 C[C@]12CCC....
22 1Z95 Ki = 76 nM 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
23 3RLJ - RLJ C19 H14 F3 N3 O3 C[C@](COc1....
24 2AX7 - FHM C17 H14 F4 N2 O5 C[C@](COc1....
25 3ZQT - TES C19 H28 O2 C[C@]12CC[....
26 1GS4 - ZK5 C21 H29 F O5 C[C@]12CCC....
27 2AM9 - TES C19 H28 O2 C[C@]12CC[....
28 3B66 - B66 C18 H16 F3 N3 O5 C[C@](COc1....
29 2PIT - DHT C19 H30 O2 C[C@]12CCC....
30 3G0W Ki = 0.3 nM LGB C15 H13 Cl F3 N3 O2 Cc1c(ccc(c....
31 1I38 - DHT C19 H30 O2 C[C@]12CCC....
32 2PIP - ICO C9 H7 N O2 c1ccc2c(c1....
33 5VO4 ic50 = 3.2 nM 9FG C12 H9 F N2 O Cn1c(ccc1c....
34 1E3G - R18 C19 H24 O2 C[C@@]1(CC....
35 3RLL - RLL C23 H16 F3 N3 O3 C[C@](COc1....
36 2AXA Ki = 6.1 nM FHM C17 H14 F4 N2 O5 C[C@](COc1....
37 2IHQ Ki = 3.2 nM LG7 C17 H13 N3 O3 c1ccc2c(c1....
38 3B68 - B68 C19 H18 F3 N3 O6 CC(=O)Nc1c....
39 2PIV - T3 C15 H12 I3 N O4 c1cc(c(cc1....
40 2PIX - FLF C14 H10 F3 N O2 c1ccc(c(c1....
41 2PIR - NK C7 H6 O2 c1ccc(c(c1....
42 2YHD Ki = 23 uM AV6 C17 H14 N2 O2 c1cc2cccc3....
43 2AX6 - HFT C11 H11 F3 N2 O4 CC(C)(C(=O....
44 2PKL - DHT C19 H30 O2 C[C@]12CCC....
45 2PIO - DHT C19 H30 O2 C[C@]12CCC....
46 1XQ3 - R18 C19 H24 O2 C[C@@]1(CC....
47 5V8Q ic50 = 3.6 nM 97A C14 H13 F3 N2 O2 CC[C@H]1[C....
48 4OJB - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
49 2YLQ - TES C19 H28 O2 C[C@]12CC[....
50 1I37 - DHT C19 H30 O2 C[C@]12CCC....
51 2YLP - TES C19 H28 O2 C[C@]12CC[....
52 3VHV ic50 = 510 nM LD1 C18 H13 N5 O2 S c1ccc(cc1)....
53 1YA3 - STR C21 H30 O2 CC(=O)[C@H....
54 2AAX - PDN C21 H26 O5 C[C@]12CC(....
55 2AA7 - 1CA C21 H30 O3 C[C@]12CC[....
56 4PF3 ic50 = 51 nM HFN C21 H18 F3 N3 O3 Cc1c(c(n(n....
57 2AB2 - SNL C24 H32 O4 S CC(=O)S[C@....
58 2AA2 - AS4 C21 H28 O5 C[C@]12CCC....
59 5HCV Ki = 2 nM 60R C23 H16 F N O3 c1ccc2c(c1....
60 2OAX - SNL C24 H32 O4 S CC(=O)S[C@....
61 1Y9R - 1CA C21 H30 O3 C[C@]12CC[....
62 2AA6 - STR C21 H30 O2 CC(=O)[C@H....
63 1SQN Kd = 0.4 nM NDR C20 H26 O2 C[C@]12CC[....
64 3ZRB - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
65 4APU - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
66 3HQ5 ic50 = 16 nM GKK C20 H19 Cl F3 N3 C[N@]1CC[C....
67 1ZUC ic50 = 1.7 nM T98 C16 H15 N3 O S CC1(c2cc(c....
68 3ZR7 - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
69 1SR7 Kd = 0.08 nM MOF C27 H30 Cl2 O6 C[C@@H]1C[....
70 3D90 - NOG C21 H28 O2 CC[C@]12CC....
71 3ZRA - ORB C18 H17 Cl F N3 O3 S Cc1c(c(on1....
72 3G8O ic50 = 125 nM 30X C15 H15 F6 N3 O C[C@@H](C(....
73 3KBA ic50 = 16 nM WOW C20 H22 Cl N3 O2 S Cc1ccccc1C....
74 4A2J - AS0 C28 H35 N O4 C[C@]12C[C....
75 2W8Y - NDR C20 H26 O2 C[C@]12CC[....
76 1A28 Ki = 5.1 nM STR C21 H30 O2 CC(=O)[C@H....
77 1NHZ - 486 C29 H35 N O2 CC#C[C@@]1....
78 4LTW - STR C21 H30 O2 CC(=O)[C@H....
79 2Q1H - AS4 C21 H28 O5 C[C@]12CCC....
80 2Q3Y - PRO ALA ILE LEU TYR ALA LEU LEU SER SER n/a n/a
81 2Q1V - PDN C21 H26 O5 C[C@]12CC(....
82 6W9K - TUA C21 H28 O5 C[C@]12C[C....
83 5UC1 - 486 C29 H35 N O2 CC#C[C@@]1....
84 5L7H Ki = 50 nM 6QG C21 H22 N2 O4 S Cc1c-2c(on....
85 5L7E Ki = 0.25 uM 6Q0 C18 H18 N2 O3 S Cc1c(c(on1....
86 5L7G Ki = 16 nM 6QE C22 H22 F2 N2 O4 S Cc1c(c(on1....
50% Homology Family (88)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 3RY9 - 1CA C21 H30 O3 C[C@]12CC[....
2 1XNN Ki = 0.5 nM HYQ C20 H18 N2 O4 c1ccc2c(c1....
3 2AMA - DHT C19 H30 O2 C[C@]12CCC....
4 2AX9 Ki = 0.3 nM BHM C11 H10 Br F3 N2 O4 C[C@](CBr)....
5 2AMB - 17H C21 H28 O2 CC[C@@]1(C....
6 4OEA - DHT C19 H30 O2 C[C@]12CCC....
7 3B67 - B67 C17 H10 F8 N2 O5 C[C@](COc1....
8 2PIU - DHT C19 H30 O2 C[C@]12CCC....
9 2YLO - TES C19 H28 O2 C[C@]12CC[....
10 2PNU - ENM C27 H36 F2 O3 C[C@]12CCC....
11 4HLW - 17W C15 H14 N2 O S c1ccc(cc1)....
12 2PIQ - RB1 C16 H19 N5 O CC(C)(C)n1....
13 2HVC - LGD C14 H9 F9 N2 O c1cc2c(cc1....
14 2OZ7 - CA4 C24 H29 Cl O4 CC(=O)[C@]....
15 3B65 - 3B6 C18 H14 I N3 O3 C[C@](COc1....
16 5CJ6 Ki = 2.03 nM 51Y C14 H17 Cl N2 O Cc1c(ccc(c....
17 4QL8 ic50 = 0.7 nM JAD C15 H16 Cl N3 O2 Cc1c(ccc(c....
18 3B5R - B5R C18 H13 Cl F4 N2 O3 C[C@](COc1....
19 2AX8 - FHM C17 H14 F4 N2 O5 C[C@](COc1....
20 2QPY - DHT C19 H30 O2 C[C@]12CCC....
21 1T7T - DHT C19 H30 O2 C[C@]12CCC....
22 1Z95 Ki = 76 nM 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
23 3RLJ - RLJ C19 H14 F3 N3 O3 C[C@](COc1....
24 2AX7 - FHM C17 H14 F4 N2 O5 C[C@](COc1....
25 3ZQT - TES C19 H28 O2 C[C@]12CC[....
26 1GS4 - ZK5 C21 H29 F O5 C[C@]12CCC....
27 2AM9 - TES C19 H28 O2 C[C@]12CC[....
28 3B66 - B66 C18 H16 F3 N3 O5 C[C@](COc1....
29 2PIT - DHT C19 H30 O2 C[C@]12CCC....
30 3G0W Ki = 0.3 nM LGB C15 H13 Cl F3 N3 O2 Cc1c(ccc(c....
31 1I38 - DHT C19 H30 O2 C[C@]12CCC....
32 2PIP - ICO C9 H7 N O2 c1ccc2c(c1....
33 5VO4 ic50 = 3.2 nM 9FG C12 H9 F N2 O Cn1c(ccc1c....
34 1E3G - R18 C19 H24 O2 C[C@@]1(CC....
35 3RLL - RLL C23 H16 F3 N3 O3 C[C@](COc1....
36 2AXA Ki = 6.1 nM FHM C17 H14 F4 N2 O5 C[C@](COc1....
37 2IHQ Ki = 3.2 nM LG7 C17 H13 N3 O3 c1ccc2c(c1....
38 3B68 - B68 C19 H18 F3 N3 O6 CC(=O)Nc1c....
39 2PIV - T3 C15 H12 I3 N O4 c1cc(c(cc1....
40 2PIX - FLF C14 H10 F3 N O2 c1ccc(c(c1....
41 2PIR - NK C7 H6 O2 c1ccc(c(c1....
42 2YHD Ki = 23 uM AV6 C17 H14 N2 O2 c1cc2cccc3....
43 2AX6 - HFT C11 H11 F3 N2 O4 CC(C)(C(=O....
44 2PKL - DHT C19 H30 O2 C[C@]12CCC....
45 2PIO - DHT C19 H30 O2 C[C@]12CCC....
46 1XQ3 - R18 C19 H24 O2 C[C@@]1(CC....
47 5V8Q ic50 = 3.6 nM 97A C14 H13 F3 N2 O2 CC[C@H]1[C....
48 4OJB - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
49 2YLQ - TES C19 H28 O2 C[C@]12CC[....
50 1I37 - DHT C19 H30 O2 C[C@]12CCC....
51 2YLP - TES C19 H28 O2 C[C@]12CC[....
52 3VHU ic50 = 49 nM SNL C24 H32 O4 S CC(=O)S[C@....
53 2AA5 - STR C21 H30 O2 CC(=O)[C@H....
54 3VHV ic50 = 510 nM LD1 C18 H13 N5 O2 S c1ccc(cc1)....
55 1YA3 - STR C21 H30 O2 CC(=O)[C@H....
56 2AAX - PDN C21 H26 O5 C[C@]12CC(....
57 2AA7 - 1CA C21 H30 O3 C[C@]12CC[....
58 4PF3 ic50 = 51 nM HFN C21 H18 F3 N3 O3 Cc1c(c(n(n....
59 2AB2 - SNL C24 H32 O4 S CC(=O)S[C@....
60 2AA2 - AS4 C21 H28 O5 C[C@]12CCC....
61 5HCV Ki = 2 nM 60R C23 H16 F N O3 c1ccc2c(c1....
62 2OAX - SNL C24 H32 O4 S CC(=O)S[C@....
63 1Y9R - 1CA C21 H30 O3 C[C@]12CC[....
64 2AA6 - STR C21 H30 O2 CC(=O)[C@H....
65 1SQN Kd = 0.4 nM NDR C20 H26 O2 C[C@]12CC[....
66 3ZRB - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
67 4APU - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
68 3HQ5 ic50 = 16 nM GKK C20 H19 Cl F3 N3 C[N@]1CC[C....
69 1ZUC ic50 = 1.7 nM T98 C16 H15 N3 O S CC1(c2cc(c....
70 3ZR7 - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
71 1SR7 Kd = 0.08 nM MOF C27 H30 Cl2 O6 C[C@@H]1C[....
72 3D90 - NOG C21 H28 O2 CC[C@]12CC....
73 3ZRA - ORB C18 H17 Cl F N3 O3 S Cc1c(c(on1....
74 3G8O ic50 = 125 nM 30X C15 H15 F6 N3 O C[C@@H](C(....
75 3KBA ic50 = 16 nM WOW C20 H22 Cl N3 O2 S Cc1ccccc1C....
76 4A2J - AS0 C28 H35 N O4 C[C@]12C[C....
77 2W8Y - NDR C20 H26 O2 C[C@]12CC[....
78 1A28 Ki = 5.1 nM STR C21 H30 O2 CC(=O)[C@H....
79 1NHZ - 486 C29 H35 N O2 CC#C[C@@]1....
80 4LTW - STR C21 H30 O2 CC(=O)[C@H....
81 2Q1H - AS4 C21 H28 O5 C[C@]12CCC....
82 2Q3Y - PRO ALA ILE LEU TYR ALA LEU LEU SER SER n/a n/a
83 2Q1V - PDN C21 H26 O5 C[C@]12CC(....
84 6W9K - TUA C21 H28 O5 C[C@]12C[C....
85 5UC1 - 486 C29 H35 N O2 CC#C[C@@]1....
86 5L7H Ki = 50 nM 6QG C21 H22 N2 O4 S Cc1c-2c(on....
87 5L7E Ki = 0.25 uM 6Q0 C18 H18 N2 O3 S Cc1c(c(on1....
88 5L7G Ki = 16 nM 6QE C22 H22 F2 N2 O4 S Cc1c(c(on1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 9FG; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9FG 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 9FG; Similar ligands found: 300
No: Ligand Similarity coefficient
1 FMQ 0.9578
2 50C 0.9456
3 L13 0.9402
4 KW7 0.9293
5 1SF 0.9279
6 92G 0.9241
7 TCC 0.9231
8 J84 0.9212
9 AWE 0.9182
10 9FH 0.9173
11 A7K 0.9168
12 EF2 0.9166
13 8D6 0.9164
14 CC5 0.9129
15 5VU 0.9127
16 EQW 0.9123
17 A4N 0.9121
18 2PK 0.9076
19 54E 0.9067
20 4HB 0.9060
21 6EL 0.9059
22 F4U 0.9057
23 FCD 0.9053
24 A4Q 0.9052
25 E3X 0.9051
26 J27 0.9045
27 ODK 0.9040
28 1CY 0.9038
29 ERZ 0.9037
30 MPK 0.9032
31 TRP 0.9031
32 CTN 0.9031
33 5C1 0.9025
34 JMG 0.9023
35 X48 0.9022
36 BPY 0.9020
37 4NR 0.9020
38 1XS 0.9020
39 TJM 0.9005
40 B1J 0.9000
41 BBY 0.8997
42 4EU 0.8997
43 HNL 0.8995
44 0FR 0.8994
45 XYP XYP 0.8981
46 AUV 0.8980
47 1KN 0.8979
48 5TT 0.8979
49 K80 0.8969
50 5O6 0.8967
51 G14 0.8965
52 YZ9 0.8961
53 MEX 0.8957
54 2JX 0.8956
55 GT4 0.8956
56 IQW 0.8950
57 KP2 0.8950
58 XIF XYP 0.8949
59 XYP XIF 0.8949
60 SV4 0.8947
61 2JM 0.8943
62 5H6 0.8943
63 HNH 0.8942
64 CP6 0.8940
65 WVV 0.8933
66 5F1 0.8931
67 BP3 0.8926
68 FT6 0.8925
69 JSX 0.8923
70 BP7 0.8922
71 K7H 0.8921
72 VIB 0.8920
73 FT2 0.8914
74 HX4 0.8912
75 26C 0.8911
76 FCW 0.8910
77 N8Z 0.8903
78 GVY 0.8903
79 ENO 0.8902
80 7EL 0.8896
81 0OK 0.8892
82 FC2 0.8887
83 S1D 0.8883
84 TYC 0.8882
85 PQS 0.8880
86 JFS 0.8878
87 5AD 0.8877
88 MMS 0.8877
89 THU 0.8876
90 TB8 0.8874
91 BP6 0.8873
92 A4T 0.8871
93 0K7 0.8870
94 TYR 0.8868
95 Q0K 0.8868
96 1FL 0.8867
97 F4K 0.8867
98 HNT 0.8865
99 42R 0.8865
100 MSR 0.8863
101 C2M 0.8861
102 ADN 0.8859
103 6DE 0.8858
104 PFF 0.8857
105 H4B 0.8857
106 VBC 0.8856
107 6FB 0.8851
108 22L 0.8850
109 A7Q 0.8845
110 78U 0.8842
111 15Q 0.8840
112 HXY 0.8838
113 CPZ 0.8836
114 X29 0.8835
115 79W 0.8833
116 D9Z 0.8832
117 AFX 0.8831
118 28B 0.8830
119 XDN XYP 0.8829
120 XYP XDN 0.8829
121 Q4G 0.8824
122 KTJ 0.8820
123 RSV 0.8819
124 URI 0.8812
125 BHS 0.8812
126 7L4 0.8812
127 LVY 0.8809
128 FTV 0.8806
129 THM 0.8806
130 51Y 0.8805
131 1Z6 0.8803
132 4BF 0.8801
133 DAH 0.8801
134 4FF 0.8801
135 PQM 0.8801
136 1HP 0.8800
137 XDK 0.8800
138 H7S 0.8800
139 AMR 0.8799
140 OQC 0.8798
141 2GD 0.8798
142 HWD 0.8795
143 46P 0.8793
144 GJG 0.8792
145 RUG 0.8792
146 Q2S 0.8789
147 BIO 0.8788
148 2B4 0.8783
149 6ZX 0.8783
150 MUK 0.8783
151 H2B 0.8781
152 7FU 0.8781
153 DDU 0.8781
154 U4J 0.8780
155 9UL 0.8776
156 5FL 0.8773
157 U2Z 0.8772
158 2PV 0.8767
159 3AD 0.8766
160 PZ8 0.8765
161 ARJ 0.8762
162 HNK 0.8762
163 ZSP 0.8760
164 H75 0.8756
165 XEV 0.8755
166 5DE 0.8754
167 AJG 0.8748
168 JRB 0.8745
169 DBE 0.8743
170 AVA 0.8742
171 EAT 0.8740
172 Y3L 0.8740
173 0OY 0.8739
174 B2Y 0.8737
175 TI7 0.8733
176 X6P 0.8732
177 QME 0.8731
178 EAJ 0.8731
179 WV7 0.8730
180 XIL 0.8728
181 8CC 0.8728
182 5OR 0.8728
183 PBQ 0.8725
184 EES 0.8723
185 TYE 0.8721
186 KMY 0.8718
187 NE1 0.8717
188 7EH 0.8717
189 2P3 0.8714
190 89J 0.8713
191 NEU 0.8712
192 CFA 0.8712
193 HBI 0.8711
194 1ER 0.8709
195 4AB 0.8709
196 H70 0.8708
197 IQQ 0.8706
198 LJ3 0.8706
199 AOT 0.8706
200 A5H 0.8705
201 AVX 0.8705
202 C93 0.8704
203 4FP 0.8702
204 27M 0.8702
205 90G 0.8701
206 I3E 0.8700
207 5F8 0.8700
208 6DQ 0.8698
209 DUR 0.8698
210 BNL 0.8698
211 KF5 0.8697
212 PIQ 0.8696
213 R9J 0.8695
214 JA5 0.8693
215 XDL XYP 0.8692
216 DTY 0.8690
217 NOC 0.8686
218 PH3 0.8685
219 PRL 0.8684
220 CU8 0.8683
221 GNW 0.8681
222 JAH 0.8681
223 CX6 0.8680
224 TGW 0.8680
225 DCZ 0.8675
226 3D1 0.8675
227 RKN 0.8673
228 6KT 0.8672
229 6WR 0.8672
230 W29 0.8668
231 0DF 0.8667
232 FER 0.8667
233 KLE 0.8661
234 7O4 0.8659
235 U3P 0.8657
236 RA7 0.8655
237 B86 0.8655
238 L1T 0.8652
239 2WU 0.8651
240 MIL 0.8650
241 657 0.8650
242 TZF 0.8649
243 I5A 0.8647
244 4GU 0.8638
245 CTD 0.8638
246 XCG 0.8633
247 HRM 0.8630
248 XYS XYS 0.8628
249 OCZ 0.8627
250 27K 0.8626
251 S98 0.8624
252 XYP XYS 0.8623
253 FMC 0.8623
254 N9J 0.8622
255 PPY 0.8622
256 5AE 0.8620
257 4V2 0.8620
258 XI7 0.8613
259 DKZ 0.8613
260 N1E 0.8612
261 ZEB 0.8611
262 BMC 0.8611
263 JF6 0.8609
264 7KE 0.8606
265 72E 0.8602
266 G30 0.8601
267 49O 0.8600
268 S60 0.8600
269 EI1 0.8596
270 BGU 0.8595
271 WOE 0.8592
272 0DN 0.8591
273 URD 0.8589
274 A5E 0.8589
275 GEO 0.8587
276 56D 0.8586
277 FWD 0.8586
278 1WC 0.8583
279 RVE 0.8582
280 N9M 0.8582
281 3DE 0.8580
282 QIV 0.8580
283 3WJ 0.8572
284 7G0 0.8565
285 5F5 0.8556
286 NE2 0.8555
287 AD3 0.8555
288 TVZ 0.8554
289 TBN 0.8553
290 K48 0.8550
291 AP4 0.8550
292 MCY 0.8550
293 4LV 0.8550
294 5N5 0.8549
295 GVG 0.8546
296 LFQ 0.8542
297 HBO 0.8535
298 8UY 0.8532
299 CWD 0.8521
300 A4D 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AX9; Ligand: BHM; Similar sites found with APoc: 8
This union binding pocket(no: 1) in the query (biounit: 2ax9.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 5Z84 CHD 28.5714
2 4TV1 36M 31.0757
3 4TV1 36M 31.0757
4 3UU7 2OH 31.0757
5 3UU7 2OH 31.0757
6 3UUD EST 31.8725
7 2BJ4 OHT 39.2857
8 2BJ4 OHT 39.2857
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