Receptor
PDB id Resolution Class Description Source Keywords
5CJ6 2.07 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF A SELECTIVE ANDROGEN RECEPTOR MODULATOR THE LIGAND BINDING DOMAIN OF THE HUMAN ANDROGEN RECEPTOR HOMO SAPIENS ANDROGEN RECEPTOR NUCLEAR HORMONE RECEPTOR SIGNALING PROTE
Ref.: 2-CHLORO-4-[[(1R,2R) -2-HYDROXY-2-METHYL-CYCLOPENTYL]AMINO]-3-METHYL-BEN : A TRANSDERMAL SELECTIVE ANDROGEN RECEPTOR MODULAT FOR MUSCLE ATROPHY. J.MED.CHEM. V. 59 750 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY ALA PHE GLN ASN LEU PHE GLN SER VAL B:21;
Invalid;
none;
submit data
n/a n/a
51Y A:1001;
Valid;
none;
Ki = 2.03 nM
264.751 C14 H17 Cl N2 O Cc1c(...
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: 51Y; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 51Y 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 51Y; Similar ligands found: 358
No: Ligand Similarity coefficient
1 XYP XIF 0.9245
2 XIF XYP 0.9245
3 PLP 0.9196
4 0UL 0.9174
5 7EH 0.9170
6 XYP XYP 0.9113
7 9CE 0.9109
8 KW7 0.9102
9 AJ4 0.9081
10 KP2 0.9076
11 7EL 0.9039
12 P2L 0.9036
13 F40 0.9029
14 7L4 0.9022
15 57D 0.9022
16 PMP 0.9017
17 88R 0.9013
18 II4 0.9006
19 15Q 0.8998
20 CU8 0.8995
21 4CN 0.8995
22 0NJ 0.8993
23 PLR 0.8992
24 AWE 0.8989
25 DCZ 0.8988
26 EQW 0.8978
27 HH6 0.8977
28 P4L 0.8974
29 6DQ 0.8973
30 XDN XYP 0.8970
31 28A 0.8970
32 XYP XDN 0.8969
33 0OK 0.8964
34 AJD 0.8959
35 PIQ 0.8951
36 5AD 0.8947
37 FCW 0.8946
38 KMP 0.8945
39 EF2 0.8944
40 3JC 0.8942
41 CTE 0.8942
42 XYS AZI XYS 0.8938
43 1V4 0.8933
44 KF5 0.8931
45 XDL XYP 0.8928
46 Q4G 0.8926
47 XIL 0.8924
48 0DF 0.8922
49 4NR 0.8919
50 F4U 0.8919
51 833 0.8917
52 DX7 0.8914
53 X04 0.8912
54 7G2 0.8912
55 Q8G 0.8906
56 FYR 0.8904
57 92O 0.8903
58 6EL 0.8897
59 1V3 0.8897
60 FTV 0.8893
61 SOJ 0.8893
62 4CF 0.8893
63 ZRK 0.8892
64 AJG 0.8891
65 KWB 0.8891
66 7ZO 0.8890
67 121 0.8885
68 XYS XYP 0.8883
69 Q0K 0.8881
70 AGI 0.8874
71 XYS XYS 0.8874
72 L1T 0.8872
73 3F4 0.8865
74 GJG 0.8862
75 LJ4 0.8861
76 GZV 0.8861
77 54E 0.8859
78 HBI 0.8858
79 NE1 0.8855
80 DFL 0.8850
81 C4E 0.8850
82 THM 0.8850
83 272 0.8849
84 WLH 0.8849
85 RKN 0.8849
86 SZ5 0.8849
87 20D 0.8849
88 6DE 0.8849
89 789 0.8847
90 H75 0.8846
91 122 0.8840
92 WCU 0.8837
93 YX1 0.8834
94 NIF 0.8834
95 DAH 0.8834
96 RVE 0.8833
97 EUH 0.8833
98 1HP 0.8833
99 3DE 0.8833
100 25F 0.8831
101 3Y7 0.8828
102 H2B 0.8828
103 NKI 0.8827
104 RGK 0.8826
105 5S9 0.8825
106 NIY 0.8824
107 B86 0.8823
108 5P3 0.8822
109 3D1 0.8821
110 IQW 0.8820
111 HXY 0.8819
112 STZ 0.8818
113 CC5 0.8818
114 3SU 0.8815
115 AKD 0.8814
116 CTN 0.8813
117 PQM 0.8810
118 5NN 0.8810
119 THU 0.8809
120 A73 0.8808
121 4GU 0.8808
122 2P3 0.8807
123 O9Q 0.8807
124 9FG 0.8805
125 0DN 0.8805
126 1V1 0.8804
127 3GX 0.8804
128 JOB 0.8803
129 5E5 0.8802
130 5TT 0.8802
131 IQQ 0.8800
132 OLU 0.8799
133 657 0.8799
134 DBE 0.8798
135 5B2 0.8797
136 KLV 0.8796
137 AJ1 0.8796
138 E6Q 0.8794
139 B5A 0.8792
140 DBS 0.8792
141 Q8D 0.8791
142 E9P 0.8790
143 3WL 0.8790
144 40N 0.8790
145 DUR 0.8790
146 IS2 0.8789
147 FM2 0.8784
148 GLP 0.8782
149 5F8 0.8781
150 9B3 0.8780
151 H4B 0.8775
152 ID2 0.8774
153 AVA 0.8773
154 2JX 0.8773
155 1FL 0.8772
156 6ZW 0.8772
157 TRP 0.8771
158 0SY 0.8771
159 4FF 0.8771
160 FM1 0.8770
161 WVV 0.8770
162 ADN 0.8770
163 1FE 0.8768
164 DDC 0.8766
165 120 0.8766
166 DXK 0.8763
167 22L 0.8762
168 5FL 0.8758
169 AJ6 0.8754
170 AUV 0.8750
171 4L2 0.8748
172 5C1 0.8748
173 4AF 0.8748
174 124 0.8747
175 F1X 0.8744
176 6QT 0.8743
177 K48 0.8743
178 2D2 0.8743
179 BMZ 0.8741
180 MTP 0.8740
181 LR8 0.8740
182 C82 0.8740
183 AVX 0.8739
184 URI 0.8739
185 3QI 0.8738
186 ERZ 0.8738
187 DTR 0.8736
188 NAL 0.8736
189 3WJ 0.8735
190 6P3 0.8734
191 LOX XYP 0.8729
192 96Z 0.8728
193 6MD 0.8728
194 4R1 0.8727
195 NAG 0.8726
196 MCY 0.8725
197 7QY 0.8724
198 1QV 0.8724
199 8D6 0.8722
200 9UL 0.8721
201 FZM 0.8721
202 TGW 0.8721
203 4Z1 0.8720
204 3IL 0.8718
205 PQS 0.8718
206 TI7 0.8717
207 9FH 0.8716
208 1ZC 0.8716
209 S1D 0.8715
210 27M 0.8714
211 BIE 0.8714
212 QIV 0.8712
213 XYP XYS 0.8711
214 L5D 0.8711
215 8CC 0.8711
216 28B 0.8708
217 3AK 0.8707
218 L3L 0.8707
219 LL1 0.8707
220 JSX 0.8707
221 D25 0.8706
222 3L1 0.8706
223 3DT 0.8706
224 47V 0.8705
225 5I5 0.8703
226 VBC 0.8703
227 555 0.8703
228 MUR 0.8701
229 BG6 0.8701
230 DTE 0.8700
231 LWS 0.8699
232 Y70 0.8698
233 7N8 0.8696
234 FMC 0.8691
235 4BF 0.8691
236 801 0.8690
237 DDU 0.8690
238 A7Q 0.8689
239 4EU 0.8689
240 5F1 0.8688
241 4FP 0.8688
242 2QU 0.8688
243 J84 0.8686
244 AZY 0.8685
245 NOS 0.8684
246 PYU 0.8683
247 2L1 0.8681
248 6H2 0.8681
249 FMB 0.8681
250 1KN 0.8680
251 A4D 0.8678
252 ZAR 0.8676
253 2GE 0.8675
254 RSV 0.8674
255 IYR 0.8673
256 205 0.8671
257 FT6 0.8671
258 LFQ 0.8670
259 2B4 0.8669
260 FMQ 0.8669
261 AD3 0.8668
262 6JO 0.8667
263 2LT 0.8666
264 108 0.8665
265 CX6 0.8663
266 1SF 0.8662
267 SYE 0.8661
268 CK2 0.8661
269 LVY 0.8660
270 5N5 0.8659
271 A 0.8658
272 JF8 0.8656
273 Y3L 0.8655
274 VT3 0.8655
275 KLE 0.8653
276 OUG 0.8652
277 6BK 0.8651
278 68B 0.8650
279 3D8 0.8647
280 2GQ 0.8644
281 7M5 0.8644
282 KYN 0.8644
283 7VF 0.8643
284 GEN 0.8642
285 CC6 0.8641
286 DFV 0.8641
287 PRH 0.8639
288 848 0.8637
289 YOF 0.8636
290 5FD 0.8629
291 ZTW 0.8629
292 BP7 0.8628
293 5DE 0.8627
294 U14 0.8626
295 QME 0.8620
296 EAT 0.8618
297 NAR 0.8618
298 M3W 0.8613
299 47X 0.8612
300 WDW 0.8612
301 9AA 0.8611
302 TIA 0.8610
303 CTD 0.8610
304 W23 0.8608
305 5BT 0.8606
306 26C 0.8605
307 5OR 0.8605
308 N2Y 0.8604
309 7FU 0.8604
310 PZP 0.8603
311 UA2 0.8601
312 G14 0.8600
313 CWE 0.8600
314 ZRL 0.8598
315 X48 0.8596
316 OCZ 0.8596
317 6JM 0.8596
318 E9L 0.8595
319 PHI 0.8595
320 3VX 0.8594
321 YE7 0.8591
322 2L2 0.8589
323 GNG 0.8588
324 CDJ 0.8586
325 6J9 0.8584
326 XEV 0.8584
327 9AG 0.8582
328 BPY 0.8579
329 4I8 0.8579
330 H2W 0.8576
331 IMH 0.8573
332 OUA 0.8572
333 GMP 0.8571
334 NGS 0.8571
335 1DR 0.8570
336 W8L 0.8569
337 5CD 0.8568
338 FHI 0.8566
339 BGU 0.8566
340 PZ8 0.8555
341 C0H 0.8552
342 URD 0.8551
343 2PK 0.8551
344 7M2 0.8550
345 BSV 0.8547
346 4AB 0.8547
347 16Z 0.8546
348 5AE 0.8541
349 0J4 0.8538
350 ZZA 0.8538
351 1Q4 0.8536
352 90M 0.8534
353 AHU 0.8526
354 LZ4 0.8526
355 U4J 0.8526
356 6J3 0.8523
357 TYC 0.8522
358 I5A 0.8506
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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