Receptor
PDB id Resolution Class Description Source Keywords
2PIX 2.4 Å NON-ENZYME: SIGNAL_HORMONE AR LBD WITH SMALL MOLECULE HOMO SAPIENS AR LBD IHNIBITORS COACTIVATOR BINDING HORMONE RECEPTOR
Ref.: A SURFACE ON THE ANDROGEN RECEPTOR THAT ALLOSTERICA REGULATES COACTIVATOR BINDING. PROC.NATL.ACAD.SCI.USA V. 104 16074 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DHT A:931;
 Valid;
 none;
 submit data
290.44 C19 H30 O2 C[C@]...
FLF A:2386;
 Valid;
 none;
 submit data
281.23 C14 H10 F3 N O2 c1ccc...
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: DHT; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 DHT 1 1
2 BDT 1 1
3 CI2 0.602941 0.78125
4 NQ8 0.552239 0.741935
5 3KL 0.551282 0.805556
6 ANO 0.536232 0.78125
7 5SD 0.536232 0.78125
8 AOM 0.530303 0.935484
9 AON 0.530303 0.935484
10 ENM 0.472527 0.659091
11 Q6J 0.432432 0.966667
Ligand no: 2; Ligand: FLF; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 FLF 1 1
2 5E4 0.578947 0.83871
3 EHO 0.537037 0.827586
4 NFL 0.507692 0.783784
5 17C 0.5 0.727273
6 OFL 0.491525 0.935484
7 CJZ 0.47541 0.722222
8 P2C 0.439394 0.634146
9 644 0.431034 0.685714
10 683 0.40625 0.705882
Similar Ligands (3D)
Ligand no: 1; Ligand: DHT; Similar ligands found: 176
No: Ligand Similarity coefficient
1 TES 1.0000
2 AND 0.9940
3 ASD 0.9936
4 AOX 0.9915
5 ANB 0.9904
6 AOI 0.9871
7 6VW 0.9790
8 FFA 0.9782
9 ESR 0.9734
10 EST 0.9681
11 EQU 0.9623
12 STR 0.9621
13 R18 0.9600
14 PLO 0.9574
15 ECS 0.9521
16 ESL 0.9471
17 J3Z 0.9471
18 17M 0.9439
19 ESZ 0.9348
20 NDR 0.9318
21 1CA 0.9282
22 ESM 0.9237
23 CUE 0.9184
24 17H 0.9109
25 C0R 0.9102
26 NOG 0.9088
27 CX6 0.9073
28 3WF 0.9060
29 1DR 0.9053
30 AS4 0.9049
31 PDN 0.9018
32 XYP XYP 0.9009
33 TUA 0.8979
34 18E 0.8957
35 HCY 0.8945
36 GEN 0.8945
37 272 0.8930
38 IXM 0.8925
39 39Z 0.8925
40 8SK 0.8924
41 0NJ 0.8903
42 397 0.8901
43 9CE 0.8894
44 0OK 0.8890
45 DX2 0.8885
46 X2M 0.8883
47 7G0 0.8870
48 ZK5 0.8867
49 3G6 0.8865
50 BRY 0.8865
51 EES 0.8862
52 SDN 0.8862
53 1V4 0.8858
54 A73 0.8849
55 ADL 0.8848
56 1V1 0.8848
57 PRL 0.8845
58 M3F 0.8839
59 E6Q 0.8838
60 YZ9 0.8838
61 DFL 0.8836
62 1FL 0.8829
63 6ZE 0.8827
64 NDD 0.8821
65 AP6 0.8816
66 20D 0.8813
67 PIQ 0.8797
68 NRA 0.8797
69 RHN 0.8795
70 0FR 0.8793
71 EED 0.8784
72 DX7 0.8780
73 MBT 0.8779
74 120 0.8777
75 7G2 0.8776
76 25F 0.8776
77 1V3 0.8773
78 K7H 0.8771
79 WG8 0.8770
80 27F 0.8765
81 OTA 0.8764
82 HH6 0.8764
83 WLH 0.8756
84 789 0.8755
85 LFN 0.8755
86 VUP 0.8750
87 XYS XYS 0.8749
88 LUM 0.8741
89 AQN 0.8736
90 0UL 0.8734
91 BMZ 0.8732
92 6BK 0.8731
93 XYS XYP 0.8729
94 2WU 0.8728
95 1EL 0.8728
96 4ZF 0.8725
97 DEX 0.8724
98 TUV 0.8724
99 1HP 0.8722
100 D9Z 0.8722
101 2GQ 0.8717
102 1YL 0.8714
103 6QT 0.8711
104 801 0.8706
105 4CN 0.8705
106 1V8 0.8705
107 5XL 0.8702
108 6DQ 0.8701
109 5OR 0.8700
110 4AU 0.8700
111 0DF 0.8699
112 P4L 0.8699
113 S98 0.8693
114 OLU 0.8693
115 79X 0.8691
116 QUE 0.8690
117 QS4 0.8689
118 Z94 0.8688
119 M3W 0.8684
120 Z21 0.8678
121 WV7 0.8677
122 CR4 0.8675
123 BIH 0.8675
124 UAY 0.8674
125 AO 0.8673
126 7L4 0.8669
127 ZSP 0.8667
128 LI7 0.8661
129 IQZ 0.8659
130 RSV 0.8658
131 1UZ 0.8658
132 3F4 0.8657
133 JF8 0.8657
134 HUL 0.8654
135 AGI 0.8654
136 124 0.8648
137 SZ5 0.8640
138 1XS 0.8638
139 Q0K 0.8638
140 HNT 0.8635
141 0LA 0.8627
142 47X 0.8627
143 F40 0.8625
144 2V4 0.8624
145 JRO 0.8621
146 6FB 0.8615
147 5VU 0.8613
148 CHQ 0.8612
149 FT2 0.8600
150 V13 0.8600
151 E9L 0.8599
152 BIO 0.8599
153 3WL 0.8598
154 7FZ 0.8596
155 CDJ 0.8592
156 H4B 0.8591
157 NPX 0.8581
158 5ER 0.8580
159 A9B 0.8579
160 2QV 0.8575
161 3UG 0.8574
162 9JT 0.8571
163 30Q 0.8570
164 HRM 0.8569
165 SAU 0.8568
166 CMP 0.8565
167 WS6 0.8564
168 A5Q 0.8563
169 VT3 0.8560
170 II4 0.8560
171 ZTW 0.8538
172 AD3 0.8523
173 5E5 0.8523
174 1CE 0.8522
175 DY9 0.8514
176 4GU 0.8509
Ligand no: 2; Ligand: FLF; Similar ligands found: 245
No: Ligand Similarity coefficient
1 U98 0.9577
2 BNY 0.9437
3 AOD 0.9429
4 6EN 0.9407
5 9RM 0.9389
6 9FN 0.9284
7 7W7 0.9227
8 0FS 0.9181
9 67B 0.9163
10 MHB 0.9123
11 QLH 0.9111
12 NNR 0.9082
13 MTB 0.9080
14 A4G 0.9055
15 EZN 0.9048
16 581 0.9040
17 DT7 0.9037
18 53X 0.9036
19 T21 0.9034
20 U12 0.9029
21 7WD 0.9020
22 ID8 0.9019
23 C5Q 0.9010
24 CF1 0.9002
25 B06 0.9001
26 LM7 0.8997
27 QNI 0.8980
28 15I 0.8978
29 6J3 0.8969
30 QC1 0.8969
31 1ER 0.8966
32 JNW 0.8963
33 KLT 0.8962
34 3WN 0.8960
35 3WO 0.8960
36 145 0.8958
37 JO8 0.8949
38 TLF 0.8945
39 GAA 0.8935
40 E2N 0.8935
41 4E5 0.8932
42 4GU 0.8931
43 88X 0.8928
44 BZC 0.8924
45 SA0 0.8919
46 WCU 0.8913
47 7FZ 0.8911
48 AV6 0.8905
49 GLA BEZ 0.8904
50 M3F 0.8894
51 U14 0.8885
52 34L 0.8882
53 SQM 0.8878
54 Y3J 0.8877
55 CMG 0.8870
56 IWH 0.8870
57 LVE 0.8869
58 H32 0.8866
59 MBP 0.8864
60 4K2 0.8862
61 MHD GAL 0.8860
62 8M5 0.8860
63 1V8 0.8859
64 E3Y 0.8856
65 1BD 0.8854
66 4ZF 0.8853
67 AUY 0.8847
68 7ZO 0.8845
69 18E 0.8844
70 CZ0 0.8840
71 IMV 0.8840
72 1XS 0.8834
73 NPZ 0.8827
74 GAL NPO 0.8823
75 ZYW 0.8814
76 Q2R 0.8813
77 A5W 0.8813
78 EAJ 0.8813
79 DMB 0.8808
80 G30 0.8808
81 TCW 0.8806
82 VM7 0.8803
83 HO4 0.8802
84 TVC 0.8801
85 103 0.8800
86 AQ1 0.8800
87 ISX 0.8796
88 EFX 0.8796
89 8GP 0.8795
90 XEV 0.8794
91 NU3 0.8794
92 M0Y 0.8793
93 0HV 0.8793
94 JWS 0.8792
95 NQ7 0.8791
96 IQQ 0.8790
97 PNG 0.8785
98 Q2S 0.8783
99 9CE 0.8781
100 XYP XYP 0.8780
101 801 0.8780
102 X2M 0.8780
103 Q9T 0.8778
104 AV4 0.8776
105 UN4 0.8775
106 Z2T 0.8772
107 WVV 0.8771
108 ZMG 0.8771
109 L5D 0.8770
110 UAY 0.8770
111 BK1 0.8769
112 KHP 0.8768
113 0RY 0.8767
114 JE7 0.8766
115 041 0.8765
116 ATU 0.8759
117 TIZ 0.8759
118 8WW 0.8758
119 8P3 0.8755
120 A45 0.8753
121 GHA 0.8752
122 FE5 0.8747
123 EZB 0.8747
124 3Q0 0.8747
125 9MR 0.8747
126 SIJ 0.8744
127 CQW 0.8741
128 1TD 0.8741
129 5P7 0.8735
130 CWU 0.8735
131 205 0.8733
132 147 0.8729
133 5YA 0.8722
134 RDT 0.8721
135 5ER 0.8720
136 YEX 0.8718
137 97K 0.8717
138 KMP 0.8715
139 7A9 0.8715
140 27M 0.8713
141 Q92 0.8712
142 WG8 0.8710
143 AV7 0.8708
144 ARJ 0.8708
145 NOC 0.8708
146 B4L 0.8707
147 KS5 0.8707
148 X8E 0.8706
149 NNV 0.8706
150 6QT 0.8704
151 PNJ 0.8701
152 DS8 0.8698
153 BK2 0.8697
154 YE6 0.8697
155 FHI 0.8692
156 MR4 0.8691
157 DGO Z61 0.8691
158 MRI 0.8690
159 AUV 0.8690
160 Q4G 0.8690
161 NIR 0.8689
162 ADL 0.8689
163 BGC BGC 0.8687
164 3RP 0.8686
165 XYP XIM 0.8682
166 6T5 0.8680
167 TI7 0.8680
168 5CX 0.8679
169 SNP 0.8679
170 IXM 0.8679
171 6FX 0.8676
172 6BK 0.8670
173 TOP 0.8670
174 MT6 0.8668
175 PUR 0.8667
176 MR6 0.8666
177 EMU 0.8666
178 UJ6 0.8663
179 6F3 0.8658
180 RVN 0.8657
181 IMK 0.8656
182 F1T 0.8654
183 ADN 0.8651
184 IGP 0.8650
185 JF8 0.8649
186 5XL 0.8646
187 ZT4 0.8646
188 FX5 0.8646
189 47N 0.8644
190 7XX 0.8644
191 8MF 0.8642
192 GAL PHB 0.8641
193 URI 0.8629
194 Q5M 0.8628
195 SNI 0.8628
196 ZT2 0.8627
197 JMS 0.8626
198 A4V 0.8624
199 DBQ 0.8623
200 BGC Z9D 0.8622
201 7GP 0.8622
202 KVW 0.8621
203 HRM 0.8617
204 7GY 0.8616
205 F18 0.8614
206 LU2 0.8613
207 272 0.8610
208 UN9 0.8610
209 FC3 0.8610
210 BXZ 0.8603
211 KVQ 0.8601
212 CFK 0.8599
213 8UY 0.8597
214 FNT 0.8594
215 0GA 0.8594
216 OUA 0.8592
217 1SF 0.8592
218 NBZ GLA 0.8591
219 U13 0.8591
220 C0H 0.8590
221 BMA BGC 0.8589
222 28B 0.8588
223 5CE 0.8588
224 7VF 0.8587
225 RGK 0.8585
226 0X2 0.8585
227 ZRL 0.8581
228 PJK 0.8580
229 6SX 0.8579
230 XTK 0.8578
231 E44 0.8575
232 SU9 0.8574
233 XDN XYP 0.8572
234 ZEA 0.8564
235 FM2 0.8563
236 MBE 0.8561
237 XYS XYS 0.8561
238 GVI 0.8560
239 OUG 0.8556
240 7G2 0.8549
241 JRO 0.8542
242 6JP 0.8540
243 P32 0.8536
244 IDZ 0.8531
245 MAV BEM 0.8524
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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