Receptor
PDB id Resolution Class Description Source Keywords
4HLW 2.5 Å NON-ENZYME: SIGNAL_HORMONE TARGETING THE BINDING FUNCTION 3 (BF3) SITE OF THE HUMAN AND RECEPTOR THROUGH VIRTUAL SCREENING. 2. DEVELOPMENT OF 2-((2P HENOXYETHYL) THIO)-1H-BENZOIMIDAZOLE DERIVATIVES. HOMO SAPIENS NUCLEAR HORMONE RECEPTOR ANDROGEN BINDING DOMAIN TRANSCRIPFACTOR TRANSCRIPTION
Ref.: TARGETING THE BINDING FUNCTION 3 (BF3) SITE OF THE RECEPTOR THROUGH VIRTUAL SCREENING. 2. DEVELOPMENT 2-((2-PHENOXYETHYL) THIO)-1H-BENZIMIDAZOLE DERIVATI J.MED.CHEM. V. 56 1136 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TES A:1001;
 Valid;
 none;
 submit data
288.424 C19 H28 O2 C[C@]...
17W A:1002;
 Valid;
 none;
 submit data
270.349 C15 H14 N2 O S c1ccc...
SO4 A:1004;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
GOL A:1003;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
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 DOMAIN IN COMPLEX WITH R-3 HOMO SAPIENS TRANSCRIPTION
Ref.: STRUCTURAL BASIS FOR ACCOMMODATION OF NONSTEROIDAL LIGANDS IN THE ANDROGEN RECEPTOR J.BIOL.CHEM. V. 280 37747 2005
Members (49)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 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 Kd = 0.76 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 1E3G - R18 C19 H24 O2 C[C@@]1(CC....
33 3RLL - RLL C23 H16 F3 N3 O3 C[C@](COc1....
34 2AXA Ki = 6.1 nM FHM C17 H14 F4 N2 O5 C[C@](COc1....
35 2IHQ Ki = 3.2 nM LG7 C17 H13 N3 O3 c1ccc2c(c1....
36 3B68 - B68 C19 H18 F3 N3 O6 CC(=O)Nc1c....
37 2PIV - T3 C15 H12 I3 N O4 c1cc(c(cc1....
38 2PIX - FLF C14 H10 F3 N O2 c1ccc(c(c1....
39 2PIR - NK C7 H6 O2 c1ccc(c(c1....
40 2YHD Ki = 23 uM AV6 C17 H14 N2 O2 c1cc2cccc3....
41 2AX6 - HFT C11 H11 F3 N2 O4 CC(C)(C(=O....
42 2PKL - DHT C19 H30 O2 C[C@]12CCC....
43 2PIO - DHT C19 H30 O2 C[C@]12CCC....
44 1XQ3 - R18 C19 H24 O2 C[C@@]1(CC....
45 5V8Q ic50 = 3.6 nM 97A C14 H13 F3 N2 O2 CC[C@H]1[C....
46 4OJB - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
47 2YLQ - TES C19 H28 O2 C[C@]12CC[....
48 1I37 - DHT C19 H30 O2 C[C@]12CCC....
49 2YLP - TES C19 H28 O2 C[C@]12CC[....
70% Homology Family (83)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 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 Kd = 0.76 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 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[....
51 3VHV ic50 = 510 nM LD1 C18 H13 N5 O2 S c1ccc(cc1)....
52 1YA3 - STR C21 H30 O2 CC(=O)[C@H....
53 2AAX - PDN C21 H26 O5 C[C@]12CC(....
54 2AA7 - 1CA C21 H30 O3 C[C@]12CC[....
55 4PF3 ic50 = 71 nM HFN C21 H18 F3 N3 O3 Cc1c(c(n(n....
56 2AB2 - SNL C24 H32 O4 S CC(=O)S[C@....
57 2AA2 - AS4 C21 H28 O5 C[C@]12CCC....
58 5HCV Ki = 2 nM 60R C23 H16 F N O3 c1ccc2c(c1....
59 2OAX - SNL C24 H32 O4 S CC(=O)S[C@....
60 1Y9R - 1CA C21 H30 O3 C[C@]12CC[....
61 2AA6 - STR C21 H30 O2 CC(=O)[C@H....
62 1SQN Kd = 0.4 nM NDR C20 H26 O2 C[C@]12CC[....
63 3ZRB - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
64 4APU - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
65 3HQ5 ic50 = 16 nM GKK C20 H19 Cl F3 N3 C[N@]1CC[C....
66 1ZUC ic50 = 1.7 nM T98 C16 H15 N3 O S CC1(c2cc(c....
67 3ZR7 - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
68 1SR7 Kd = 0.08 nM MOF C27 H30 Cl2 O6 C[C@@H]1C[....
69 3D90 - NOG C21 H28 O2 CC[C@]12CC....
70 3ZRA - ORB C18 H17 Cl F N3 O3 S Cc1c(c(on1....
71 3G8O ic50 = 125 nM 30X C15 H15 F6 N3 O C[C@@H](C(....
72 3KBA ic50 = 16 nM WOW C20 H22 Cl N3 O2 S Cc1ccccc1C....
73 4A2J - AS0 C28 H35 N O4 C[C@]12C[C....
74 2W8Y - NDR C20 H26 O2 C[C@]12CC[....
75 1A28 Ki = 5.1 nM STR C21 H30 O2 CC(=O)[C@H....
76 1NHZ - 486 C29 H35 N O2 CC#C[C@@]1....
77 4LTW - STR C21 H30 O2 CC(=O)[C@H....
78 2Q1H - AS4 C21 H28 O5 C[C@]12CCC....
79 2Q3Y - PRO ALA ILE LEU TYR ALA LEU LEU SER SER n/a n/a
80 2Q1V - PDN C21 H26 O5 C[C@]12CC(....
81 5L7H Ki = 50 nM 6QG C21 H22 N2 O4 S Cc1c-2c(on....
82 5L7E Ki = 0.25 uM 6Q0 C18 H18 N2 O3 S Cc1c(c(on1....
83 5L7G Ki = 16 nM 6QE C22 H22 F2 N2 O4 S Cc1c(c(on1....
50% Homology Family (85)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 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 Kd = 0.76 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 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[....
51 3VHU ic50 = 49 nM SNL C24 H32 O4 S CC(=O)S[C@....
52 2AA5 - STR C21 H30 O2 CC(=O)[C@H....
53 3VHV ic50 = 510 nM LD1 C18 H13 N5 O2 S c1ccc(cc1)....
54 1YA3 - STR C21 H30 O2 CC(=O)[C@H....
55 2AAX - PDN C21 H26 O5 C[C@]12CC(....
56 2AA7 - 1CA C21 H30 O3 C[C@]12CC[....
57 4PF3 ic50 = 71 nM HFN C21 H18 F3 N3 O3 Cc1c(c(n(n....
58 2AB2 - SNL C24 H32 O4 S CC(=O)S[C@....
59 2AA2 - AS4 C21 H28 O5 C[C@]12CCC....
60 5HCV Ki = 2 nM 60R C23 H16 F N O3 c1ccc2c(c1....
61 2OAX - SNL C24 H32 O4 S CC(=O)S[C@....
62 1Y9R - 1CA C21 H30 O3 C[C@]12CC[....
63 2AA6 - STR C21 H30 O2 CC(=O)[C@H....
64 1SQN Kd = 0.4 nM NDR C20 H26 O2 C[C@]12CC[....
65 3ZRB - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
66 4APU - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
67 3HQ5 ic50 = 16 nM GKK C20 H19 Cl F3 N3 C[N@]1CC[C....
68 1ZUC ic50 = 1.7 nM T98 C16 H15 N3 O S CC1(c2cc(c....
69 3ZR7 - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
70 1SR7 Kd = 0.08 nM MOF C27 H30 Cl2 O6 C[C@@H]1C[....
71 3D90 - NOG C21 H28 O2 CC[C@]12CC....
72 3ZRA - ORB C18 H17 Cl F N3 O3 S Cc1c(c(on1....
73 3G8O ic50 = 125 nM 30X C15 H15 F6 N3 O C[C@@H](C(....
74 3KBA ic50 = 16 nM WOW C20 H22 Cl N3 O2 S Cc1ccccc1C....
75 4A2J - AS0 C28 H35 N O4 C[C@]12C[C....
76 2W8Y - NDR C20 H26 O2 C[C@]12CC[....
77 1A28 Ki = 5.1 nM STR C21 H30 O2 CC(=O)[C@H....
78 1NHZ - 486 C29 H35 N O2 CC#C[C@@]1....
79 4LTW - STR C21 H30 O2 CC(=O)[C@H....
80 2Q1H - AS4 C21 H28 O5 C[C@]12CCC....
81 2Q3Y - PRO ALA ILE LEU TYR ALA LEU LEU SER SER n/a n/a
82 2Q1V - PDN C21 H26 O5 C[C@]12CC(....
83 5L7H Ki = 50 nM 6QG C21 H22 N2 O4 S Cc1c-2c(on....
84 5L7E Ki = 0.25 uM 6Q0 C18 H18 N2 O3 S Cc1c(c(on1....
85 5L7G Ki = 16 nM 6QE C22 H22 F2 N2 O4 S Cc1c(c(on1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TES; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 FFA 1 1
2 TES 1 1
3 3G6 0.621622 0.868421
4 STR 0.619718 0.833333
5 1CA 0.6 0.785714
6 K2B 0.5625 0.763158
7 TH2 0.555556 0.829268
8 ASD 0.542857 0.833333
9 DL4 0.541176 0.85
10 6VW 0.405063 0.971429
Ligand no: 2; Ligand: 17W; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 17W 1 1
2 6N4 0.563636 0.795455
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AX9; Ligand: BHM; Similar sites found: 146
This union binding pocket(no: 1) in the query (biounit: 2ax9.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4OAS 2SW 0.004375 0.44703 None
2 1L0I PSR 0.01593 0.43858 None
3 4UYG 73B 0.01608 0.43634 None
4 2VWA PTY 0.02961 0.42453 None
5 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.03072 0.41161 None
6 5UEX 89D 0.03466 0.40211 None
7 3G58 988 0.03281 0.4101 1.5625
8 3P9T TCL 0.002559 0.46793 1.82648
9 1ECM TSA 0.03311 0.4136 1.83486
10 4UYF 73B 0.02252 0.42681 1.94805
11 2BP1 FLC 0.03069 0.43012 2.34375
12 5K53 STE 0.007122 0.42236 2.34375
13 4WCX MET 0.04415 0.4107 2.34375
14 1R2J FAD 0.02128 0.40946 2.34375
15 4B1V LAB 0.03857 0.40638 2.34375
16 3V78 ET 0.006033 0.4442 2.40385
17 2HHP FLC 0.0006302 0.54796 2.73438
18 3B9Z CO2 0.001614 0.50452 2.73438
19 3HR1 PF9 0.005643 0.42377 2.73438
20 1XMY ROL 0.03735 0.41076 2.73438
21 1W5T ADP 0.02156 0.40605 2.73438
22 2XN5 FUN 0.03939 0.4059 2.73438
23 3BP1 GUN 0.0173 0.40309 2.73438
24 1W2D ADP 0.04534 0.40266 2.73438
25 1KPG 16A 0.02815 0.40047 2.73438
26 1SBR VIB 0.009699 0.44689 3
27 3KYQ DPV 0.01641 0.43437 3.01508
28 2Q8H TF4 0.008488 0.45274 3.125
29 4RW3 TDA 0.00747 0.45228 3.125
30 3LE7 ADE 0.03086 0.42225 3.125
31 1BW9 PPY 0.03202 0.40385 3.125
32 1L5Y BEF 0.04697 0.41994 3.22581
33 1YRX FMN 0.03175 0.40403 3.30579
34 1NF8 BOG 0.002459 0.48316 3.38164
35 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.007223 0.46236 3.51562
36 2Z9I GLY ALA THR VAL 0.01931 0.43351 3.51562
37 1XV5 UDP 0.03132 0.4012 3.51562
38 4FHT DHB 0.04701 0.40953 3.82166
39 4MRP GSH 0.008218 0.45414 3.90625
40 3FZG SAM 0.01812 0.41288 4
41 2IYG FMN 0.01495 0.42412 4.03226
42 2Q4X HMH 0.008837 0.45142 4.0724
43 1J78 OLA 0.01578 0.41797 4.6875
44 3B6C SDN 0.00492 0.463 4.70085
45 1G27 BB1 0.008019 0.42323 4.7619
46 5BTX CMP 0.02547 0.40735 4.79452
47 4URN NOV 0.04803 0.40858 4.88889
48 2XRH NIO 0.0441 0.41377 5
49 4FLP JQ1 0.01342 0.43946 5.04202
50 3E3U NVC 0.01746 0.41708 5.07614
51 3KP6 SAL 0.004526 0.47467 5.29801
52 1A05 IPM 0.02262 0.42867 5.46875
53 3W54 RNB 0.009657 0.42276 5.46875
54 3VSV XYP 0.04971 0.40402 5.46875
55 2UXI G50 0.02293 0.4018 5.71429
56 3KDJ A8S 0.01368 0.41236 5.85938
57 1OW4 2AN 0.02711 0.41088 6.20155
58 4V3I ASP LEU THR ARG PRO 0.03196 0.42021 6.22568
59 4DR9 BB2 0.03816 0.4 6.25
60 5AHS FAD 0.01934 0.40239 6.64062
61 3TL1 JRO 0.007264 0.45376 6.91824
62 4I90 CHT 0.04846 0.41045 7.03125
63 2YVJ NAI 0.01622 0.40887 7.33945
64 5V4R MGT 0.01359 0.4415 7.40741
65 1TV5 N8E 0.006008 0.45826 7.42188
66 2OHV NHL 0.01728 0.42879 7.42188
67 3HYW DCQ 0.046 0.41041 7.42188
68 3GXO MQA 0.04923 0.40425 7.42188
69 1H0A I3P 0.04497 0.4124 7.59494
70 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.007949 0.44106 7.8125
71 4F4S EFO 0.03205 0.41835 7.89474
72 5HZ9 5M8 0.01374 0.41226 8.14815
73 1I0B PEL 0.02178 0.42829 8.20312
74 2NNJ 225 0.03859 0.41 8.20312
75 4BE9 7P9 0.04315 0.41224 8.59375
76 4Q6R 30J 0.02313 0.40768 8.59375
77 5DCH 1YO 0.03542 0.4175 8.85417
78 3JUQ AJD 0.00808 0.4138 9.18919
79 3JUQ AKD 0.01008 0.4068 9.18919
80 1R6N 434 0.01201 0.44401 9.47867
81 5MOB A8S 0.01529 0.42751 9.48276
82 2QQD AG2 0.02418 0.4251 9.82143
83 3RET PYR 0.0237 0.41042 9.90099
84 3RET SAL 0.0237 0.41042 9.90099
85 3RV5 DXC 0.01426 0.44553 10.1124
86 1PZ4 PLM 0.021 0.40974 10.3448
87 4XPL ACO 0.02733 0.40108 10.4294
88 1DTL BEP 0.0236 0.41397 10.559
89 4LWU 20U 0.007303 0.43596 10.5882
90 3KO0 TFP 0.02625 0.42668 10.8911
91 4DS8 A8S 0.008305 0.43318 11.9617
92 4WPF 3SN 0.008936 0.40638 12.8906
93 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.0003397 0.51965 13.1148
94 2P54 735 0.004591 0.4159 13.6719
95 1K7L 544 0.005204 0.41363 13.6719
96 3L1N PLM 0.03175 0.41857 13.9175
97 3GYT DL4 0.007843 0.41153 13.9344
98 5OCA 9QZ 0.0008483 0.50759 14.2857
99 4RJD TFP 0.03104 0.42065 15.1515
100 1DB1 VDX 0.0002655 0.41089 15.625
101 3KMR EQN 0.001015 0.46514 16.0156
102 2BYC FMN 0.03102 0.40454 16.0584
103 1RL4 BL5 0.003753 0.42663 16.4894
104 1XAP TTB 0.0004069 0.47926 16.7969
105 4DM8 REA 0.001011 0.45363 16.7969
106 1FCZ 156 0.001213 0.44664 18.2979
107 1XVB 3BR 0.01864 0.423 19.4118
108 4DK7 0KS 0.00002449 0.54057 23.4818
109 3DCT 064 0.00006895 0.40522 24.6809
110 3OKI OKI 0.01756 0.40434 24.8927
111 3IPQ 965 0.0003362 0.45007 25
112 5ICK FEZ 0.0004735 0.48059 25.3275
113 3RUU 37G 0.0001005 0.47767 25.3275
114 4QJR PIZ 0.0002321 0.47007 26.1224
115 1ZDT PEF 0.0008898 0.4457 26.556
116 2Y69 CHD 0.03358 0.41283 27.1429
117 1YMT DR9 0.00009559 0.41093 27.6423
118 1NRL SRL 0.000889 0.46374 28.125
119 1M13 HYF 0.000486 0.40234 28.125
120 5AAV GW5 0.000001923 0.51922 30.9524
121 3UU7 2OH 0.0000004136 0.68503 31.0757
122 2E2R 2OH 0.0000000003104 0.60667 31.1475
123 2QA8 GEN 0.0000000009026 0.77871 31.25
124 2QZO KN1 0.0000000009293 0.49759 31.25
125 2QE4 JJ3 0.000000000301 0.65057 31.4516
126 1YUC EPH 0.0001058 0.48832 31.7647
127 3UUA 0CZ 0.00000004366 0.71533 31.8725
128 3UUD EST 0.0000000008077 0.47219 31.8725
129 1YOK P6L 0.00009201 0.43369 32.0312
130 2IBZ UQ6 0.01963 0.4021 32.4324
131 1PZL MYR 0.00001023 0.56436 32.4895
132 1YYE 196 0.00000000006615 0.83501 33.2031
133 1ZDU P3A 0.001147 0.4411 33.4694
134 2I0G I0G 0.0000000001923 0.65578 33.9844
135 1U3R 338 0.0000000001177 0.503 35.2697
136 1FBY REA 0.000005041 0.54966 37.2385
137 1YP0 PEF 0.0002024 0.48439 37.2385
138 1FM9 9CR 0.000005548 0.41667 37.395
139 1HG4 LPP 0.0007112 0.4465 37.8906
140 1DKF OLA 0.000006434 0.58759 38.1974
141 1DKF BMS 0.0001273 0.49326 38.1974
142 1XIU REA 0.00001011 0.56462 38.2609
143 4POJ 2VP 0.000001697 0.44552 38.5281
144 4M8E 29V 0.000002089 0.43727 38.5281
145 3H0A 9RA 0.000005661 0.41242 39.0351
146 2BJ4 OHT 0.000000001053 0.50436 39.2857
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