Receptor
PDB id Resolution Class Description Source Keywords
2AB2 1.85 Å EC: 2.3.1.48 MINERALOCORTICOID RECEPTOR DOUBLE MUTANT WITH BOUND SPIRONOLACTONE HOMO SAPIENS MINERALOCORTICOID RECEPTOR MR NUCLEAR RECEPTOR STEROID RECEPTOR SPIRONOLACTONE HYPERTENSION TRANSCRIPTION
Ref.: A LIGAND-MEDIATED HYDROGEN BOND NETWORK REQUIRED FOR THE ACTIVATION OF THE MINERALOCORTICOID RECEPTOR J.BIOL.CHEM. V. 280 31283 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SNL A:502;
B:503;
Valid;
Valid;
none;
none;
submit data
416.573 C24 H32 O4 S CC(=O...
SO4 B:501;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5HCV 2.5 Å EC: 2.3.1.48 IDENTIFICATION OF SPIROOXINDOLE AND DIBENZOXAZEPINE MOTIFS A MINERALOCORTICOID RECEPTOR ANTAGONISTS HOMO SAPIENS MINERALOCORTICOID RECEPTOR LIGAND-BINDING DOMAIN MR-LBD ANTAGONISTS CO-CRYSTAL SIGNALING PROTEIN
Ref.: IDENTIFICATION OF SPIROOXINDOLE AND DIBENZOXAZEPINE AS POTENT MINERALOCORTICOID RECEPTOR ANTAGONISTS. BIOORG.MED.CHEM. V. 24 1384 2016
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 3VHU ic50 = 49 nM SNL C24 H32 O4 S CC(=O)S[C@....
2 2AA5 - STR C21 H30 O2 CC(=O)[C@H....
3 3VHV ic50 = 510 nM LD1 C18 H13 N5 O2 S c1ccc(cc1)....
4 1YA3 - STR C21 H30 O2 CC(=O)[C@H....
5 2AAX - PDN C21 H26 O5 C[C@]12CC(....
6 2AA7 - 1CA C21 H30 O3 C[C@]12CC[....
7 4PF3 ic50 = 71 nM HFN C21 H18 F3 N3 O3 Cc1c(c(n(n....
8 2AB2 - SNL C24 H32 O4 S CC(=O)S[C@....
9 2AA2 - AS4 C21 H28 O5 C[C@]12CCC....
10 5HCV Ki = 2 nM 60R C23 H16 F N O3 c1ccc2c(c1....
11 2OAX - SNL C24 H32 O4 S CC(=O)S[C@....
12 1Y9R - 1CA C21 H30 O3 C[C@]12CC[....
13 2AA6 - STR C21 H30 O2 CC(=O)[C@H....
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: SNL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 SNL 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5HCV; Ligand: 60R; Similar sites found: 126
This union binding pocket(no: 1) in the query (biounit: 5hcv.bio3) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KP6 SAL 0.002917 0.44153 None
2 3RV5 DXC 0.0006444 0.43006 None
3 2QQD AG2 0.02248 0.40463 None
4 3CV2 COA 0.01793 0.41687 1.94553
5 1QY8 RDI 0.002671 0.40046 1.94553
6 3D9F N6C 0.02977 0.40258 2.33463
7 3D9F FAD 0.02977 0.40258 2.33463
8 1YRX FMN 0.01009 0.40188 2.47934
9 4RW3 PLM 0.00494 0.41232 2.64901
10 3LOO B4P 0.009097 0.41332 2.72374
11 4U0I 0LI 0.01196 0.40214 2.72374
12 2QES ADE 0.02958 0.40086 2.72374
13 5DEY 59T 0.008757 0.42706 3.11284
14 3GYT DL4 0.0005139 0.45271 3.27869
15 1EWF PC1 0.01091 0.41385 3.50195
16 5LX9 OLB 0.00587 0.41645 4.66926
17 5CSD ACD 0.01092 0.40972 5.03145
18 3WBG 2AN 0.003865 0.42485 5.22876
19 5B4B LP5 0.007604 0.41089 5.24194
20 3KYQ DPV 0.01492 0.41381 5.52764
21 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.01454 0.40577 5.71429
22 4ASE AV9 0.004501 0.4168 5.83658
23 3RET PYR 0.001348 0.40777 5.94059
24 3RET SAL 0.001348 0.40777 5.94059
25 5BVT PAM 0.003879 0.4096 5.97015
26 1LEK GLU GLN TYR LYS PHE TYR SER VAL 0.03324 0.40735 6.06061
27 3G08 FEE 0.03486 0.4 6.06061
28 5L2J 70E 0.03796 0.40509 6.12245
29 5L2J 6UL 0.04269 0.40143 6.12245
30 2A1L PCW 0.003 0.44262 6.61479
31 1TV5 N8E 0.00161 0.47564 7.00389
32 2Q2Y ADP 0.01537 0.40604 7.393
33 2Q2Y MKR 0.01462 0.40604 7.393
34 4KCF AKM 0.006858 0.40424 7.393
35 4WT2 3UD 0.003882 0.42107 7.61905
36 4ZOM 4Q3 0.0006679 0.42732 8
37 3FUR Z12 0.0000154 0.55081 8.17121
38 5TWO 7MV 0.00007027 0.48329 8.17121
39 3ET3 ET1 0.00008704 0.47936 8.17121
40 3SP6 IL2 0.00007 0.4769 8.17121
41 3B1M KRC 0.003292 0.41449 8.17121
42 4HEE 14R 0.003261 0.41279 8.17121
43 2NPA MMB 0.002629 0.41065 8.17121
44 3T03 3T0 0.002383 0.40355 8.17121
45 3KXC PLM 0.004548 0.41355 8.24742
46 4LY9 1YY 0.01828 0.4088 10.1167
47 4LY9 S6P 0.01755 0.4088 10.1167
48 3MBG FAD 0.008845 0.40251 10.7914
49 1ZDU P3A 0.00008298 0.49072 11.0204
50 5UNJ RJW 0.00003077 0.47966 11.0204
51 1N83 CLR 0.002403 0.42555 11.284
52 4S15 4D8 0.001222 0.43281 11.3281
53 2QZT PLM 0.008918 0.40518 11.7117
54 5LWY OLB 0.001089 0.40871 12.1495
55 1OQC FAD 0.007147 0.40347 12.8
56 1YC4 43P 0.0004759 0.41638 14.3969
57 4B7P 9UN 0.01473 0.41235 16.087
58 1YOK P6L 0.000004263 0.56361 16.4062
59 5APK 76E 0.0001391 0.48453 20.6226
60 5APJ 76E 0.0003305 0.46966 20.6226
61 5NTW 98N 0.0004244 0.46642 20.6226
62 4WPF 3SN 0.002056 0.42503 20.6226
63 5V4R MGT 0.01504 0.42339 21.6049
64 4H07 IPH 0.00647 0.41268 22.0779
65 1XAP TTB 0.0003527 0.45366 22.5681
66 1YMT DR9 0.0001513 0.48293 22.7642
67 3KMZ EQO 0.00014 0.48267 22.9572
68 5IXK 6EW 0.00172 0.42456 23.2456
69 4QJR PIZ 0.0001211 0.48358 23.6735
70 1FCZ 156 0.0005623 0.45103 23.8298
71 5K13 6Q7 0.0001439 0.47234 23.9837
72 1ZDT PEF 0.00005604 0.50003 24.0664
73 1NRL SRL 0.0005898 0.44422 24.9027
74 1DB1 VDX 0.000083 0.50099 26.07
75 3L0E G58 0.00008202 0.4928 27.2727
76 3KFC 61X 0.00001086 0.5404 27.668
77 5LGA 6VH 0.000005998 0.5553 28.7938
78 5E7V M7E 0.00002178 0.52171 28.7938
79 1YP0 PEF 0.00006907 0.4881 29.2887
80 4Q0A 4OA 0.001258 0.43426 29.9611
81 1PZL MYR 0.000002604 0.53103 30.8017
82 3VRV YSD 0.00003256 0.53805 31.1284
83 3FS1 MYR 0.000001027 0.53812 31.7391
84 2QZO KN1 0.0000000003801 0.69455 31.9066
85 5HYR EST 0.00000000003427 0.69308 31.9066
86 5DXE EST 0.00000000003911 0.69115 31.9066
87 2QA8 GEN 0.0000000002021 0.66597 31.9066
88 5DXG EST 0.0000000001078 0.66005 31.9066
89 2E2R 2OH 0.0001106 0.53337 31.9672
90 5GIC DLC 0.002073 0.4345 32
91 4TV1 36M 0.00000000002269 0.62841 32.6693
92 1HG4 LPP 0.0001126 0.48678 32.9749
93 2QE4 JJ3 0.000000003229 0.72956 33.0645
94 5DX3 EST 0.0000000001502 0.65449 33.0739
95 2R40 20E 0.0002109 0.47127 33.0739
96 2R40 EPH 0.0003432 0.46733 33.0739
97 1G2N EPH 0.0009125 0.44198 33.0739
98 1N46 PFA 0.001471 0.43643 33.463
99 3OKI OKI 0.003837 0.4098 33.4764
100 3JZB 4HY 0.0004058 0.41216 33.8521
101 2YJD YJD 0.00000000005933 0.69894 34.1667
102 3OLL EST 0.0000000001204 0.68902 34.1667
103 4J26 EST 0.00000000008416 0.66326 34.1667
104 4J24 EST 0.0000000001124 0.65969 34.1667
105 2LBD REA 0.0008554 0.44497 34.2412
106 1RDT L79 0.00000004916 0.6167 34.7107
107 3FAL LO2 0.000009845 0.54056 34.7107
108 3FAL REA 0.000001473 0.52868 34.7107
109 1RDT 570 0.0002486 0.46817 34.7107
110 5AAV GW5 0.0000000054 0.72346 34.9206
111 1FBY REA 0.0000007623 0.5744 35.1464
112 1FM9 9CR 0.00000005156 0.61582 35.2941
113 1FM9 570 0.0003782 0.46863 35.2941
114 2BJ4 OHT 0.0000000001381 0.72457 35.3175
115 4MGB XDH 0.00000000004754 0.71826 35.6863
116 4MG7 27H 0.00000000006414 0.71371 35.6863
117 4MG8 27J 0.00000000003904 0.68967 35.6863
118 4MGD 27N 0.0000000002578 0.65943 35.6863
119 4TUZ 36J 0.0000000001617 0.6522 35.6863
120 4MG9 27K 0.00000000135 0.57034 35.6863
121 4MGA 27L 0.0000000001875 0.53224 35.6863
122 1DKF OLA 0.0000007573 0.5357 36.0515
123 1DKF BMS 0.00003261 0.50205 36.0515
124 4M8E 29V 0.0000000521 0.62169 36.3636
125 4POJ 2VP 0.00000008236 0.61597 36.3636
126 2O4J VD4 0.0001477 0.43189 40.4669
Pocket No.: 2; Query (leader) PDB : 5HCV; Ligand: 60R; Similar sites found: 14
This union binding pocket(no: 2) in the query (biounit: 5hcv.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F4P 0SB 0.0187 0.40708 2.72374
2 5FS0 5JC 0.02781 0.40048 3.31754
3 4UCC ZKW 0.0224 0.411 3.86266
4 2XXP DSL 0.02004 0.41197 4.66926
5 1HN4 MJI 0.02465 0.40604 5.34351
6 4B1V LAB 0.006789 0.42701 5.83658
7 5UTQ OAN 0.01349 0.40109 6.61479
8 5BXV MGP 0.02027 0.41056 6.77083
9 4ORM 2V6 0.03002 0.40147 7.00389
10 4ORM ORO 0.03002 0.40147 7.00389
11 4ORM FMN 0.03002 0.40147 7.00389
12 3R9V DXC 0.01645 0.41912 7.7821
13 1N4H REA 0.002173 0.41195 10.1167
14 1WB4 SXX 0.02369 0.41016 13.6187
Pocket No.: 3; Query (leader) PDB : 5HCV; Ligand: 60R; Similar sites found: 9
This union binding pocket(no: 3) in the query (biounit: 5hcv.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UVC STE 0.006678 0.40755 None
2 3Q8G PEE 0.03049 0.4002 2.33463
3 5UWA 8ND 0.009168 0.40294 3.44828
4 3UP3 XCA 0.004449 0.40904 5.34979
5 4YNU LGC 0.01537 0.41188 8.56031
6 4YNU FAD 0.01306 0.41188 8.56031
7 1NQ7 ARL 0.005095 0.4001 10.6557
8 2FDW D3G 0.01789 0.4071 10.8949
9 5X8Q 82R 0.005159 0.40465 20.6226
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