Receptor
PDB id Resolution Class Description Source Keywords
1NHZ 2.3 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE ANTAGONIST FORM OF GLUCOCORTICOID R HOMO SAPIENS PROTIEN-LIGAND COMPLEX ANTI PARALLEL ALPHA HELIX SANDWICH RECEPTOR
Ref.: THE THREE-DIMENSIONAL STRUCTURES OF ANTAGONISTIC AN AGONISTIC FORMS OF THE GLUCOCORTICOID RECEPTOR LIGAND-BINDING DOMAIN: RU-486 INDUCES A TRANSCONFOR THAT LEADS TO ACTIVE ANTAGONISM. J.BIOL.CHEM. V. 278 22748 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
486 A:800;
Valid;
none;
submit data
429.594 C29 H35 N O2 CC#C[...
HEZ A:901;
A:902;
A:903;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
118.174 C6 H14 O2 C(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NHZ 2.3 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE ANTAGONIST FORM OF GLUCOCORTICOID R HOMO SAPIENS PROTIEN-LIGAND COMPLEX ANTI PARALLEL ALPHA HELIX SANDWICH RECEPTOR
Ref.: THE THREE-DIMENSIONAL STRUCTURES OF ANTAGONISTIC AN AGONISTIC FORMS OF THE GLUCOCORTICOID RECEPTOR LIGAND-BINDING DOMAIN: RU-486 INDUCES A TRANSCONFOR THAT LEADS TO ACTIVE ANTAGONISM. J.BIOL.CHEM. V. 278 22748 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1NHZ - 486 C29 H35 N O2 CC#C[C@@]1....
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: 486; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 486 1 1
2 2S0 0.606383 0.821429
3 AS0 0.5 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NHZ; Ligand: 486; Similar sites found: 413
This union binding pocket(no: 1) in the query (biounit: 1nhz.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NU4 MLA 0.002969 0.48267 None
2 1UO5 PIH 0.003651 0.45823 None
3 2VKL MLT 0.007004 0.4525 None
4 3QDY A2G GAL 0.003752 0.44994 None
5 2FR6 URI 0.00009178 0.44888 None
6 3F81 STT 0.008476 0.43996 None
7 2FR6 CTN 0.0003775 0.42783 None
8 3KMT SAH 0.001033 0.42622 None
9 4JMU 1ML 0.01179 0.42243 None
10 3BY8 MLT 0.01399 0.41588 None
11 3QDY CBS 0.01988 0.40868 None
12 3QDT A2G GAL 0.03303 0.40371 None
13 1W3R PYR 0.002434 0.4591 0.925926
14 1TDF FAD 0.001582 0.42485 1.07143
15 1TDF NAP 0.004916 0.42245 1.07143
16 1C3V NDP 0.002727 0.40011 1.22449
17 4FR3 0V4 0.01613 0.40235 1.28205
18 4FR3 LYS ARG ARG LYS SEP VAL 0.01663 0.40185 1.28205
19 1Z44 NPO 0.00007371 0.57181 1.42857
20 1Q11 TYE 0.002452 0.4322 1.42857
21 1Z41 FMN 0.001081 0.42081 1.42857
22 1KOL NAD 0.001181 0.41871 1.42857
23 1Z48 FMN 0.001422 0.4165 1.42857
24 4KQI RBZ 0.0009444 0.41548 1.42857
25 4KQI NIO 0.0009444 0.41548 1.42857
26 1Z44 FMN 0.00218 0.41413 1.42857
27 1CKM GTP 0.007095 0.40786 1.42857
28 3K37 BCZ 0.01698 0.40527 1.42857
29 3VPD ANP 0.0006333 0.40512 1.42857
30 1IYE PGU 0.00237 0.40214 1.42857
31 1POC GEL 0.0001841 0.40866 1.49254
32 3B6O TMP 0.02017 0.41032 1.61943
33 3MAG 3MA 0.0005657 0.51042 1.78571
34 2HHP FLC 0.01527 0.46118 1.78571
35 3GWT 066 0.000904 0.41611 1.78571
36 1JQI CAA 0.0007701 0.40896 1.78571
37 1A27 EST 0.003312 0.40319 1.78571
38 4DQ2 BTX 0.001852 0.40292 1.78571
39 3DG6 MUC 0.004636 0.4019 1.78571
40 3TL1 JRO 0.01849 0.41229 1.88679
41 2DTX BMA 0.001099 0.42326 1.89394
42 2Q2V NAD 0.00211 0.40644 1.96078
43 3RET PYR 0.01074 0.40768 1.9802
44 1QDS PGA 0.004471 0.41126 1.99203
45 1SBR VIB 0.003033 0.45291 2
46 4COQ SAN 0.009513 0.41783 2.02429
47 1V2X SAM 0.0005164 0.40405 2.06186
48 1EYE PMM 0.0001989 0.45863 2.14286
49 2PP3 LGT 0.001104 0.42514 2.14286
50 4O8A FAD 0.0008667 0.41672 2.14286
51 1TIW TFB 0.001863 0.41422 2.14286
52 1TIW FAD 0.001863 0.41422 2.14286
53 1SQ5 ADP 0.003055 0.4131 2.14286
54 1YOE RIB 0.001073 0.41074 2.14286
55 1G0N PHH 0.002974 0.41034 2.14286
56 1G0N NDP 0.002424 0.41027 2.14286
57 3IL6 B83 0.0003117 0.40975 2.14286
58 1SQ5 PAU 0.008818 0.40873 2.14286
59 4AF0 IMP 0.00584 0.4055 2.14286
60 3DGB MUC 0.004851 0.40538 2.14286
61 4OB6 S2T 0.003734 0.4013 2.14286
62 4L7I SAM 0.003107 0.40023 2.14286
63 2BGM NAJ 0.01161 0.40079 2.15827
64 3FS8 ACO 0.02334 0.4019 2.1978
65 3RFV NAI 0.001492 0.40452 2.24719
66 1ZK4 AC0 0.005419 0.4243 2.39044
67 1ZK4 NAP 0.005419 0.4243 2.39044
68 3AQT RCO 0.008237 0.43536 2.44898
69 1LNX URI 0.005016 0.44539 2.46914
70 2Z9I GLY ALA THR VAL 0.03606 0.40506 2.46914
71 4M51 BEZ 0.0004183 0.4963 2.5
72 2Z9V PXM 0.0006824 0.45561 2.5
73 3I0O ADP 0.0005604 0.44694 2.5
74 1D6H COA 0.0003473 0.44513 2.5
75 3OND NAD 0.0009572 0.43356 2.5
76 3OND ADN 0.0009572 0.43356 2.5
77 4E28 9MZ 0.004274 0.43355 2.5
78 2C31 TZD 0.002683 0.433 2.5
79 3LTW HLZ 0.005062 0.43023 2.5
80 1ZK7 FAD 0.00154 0.42432 2.5
81 3I0O SMI 0.006114 0.42078 2.5
82 3NFZ 3NF 0.002076 0.41955 2.5
83 2ZJ5 ADP 0.007436 0.41706 2.5
84 4E28 0MZ 0.007945 0.41581 2.5
85 1UBY DMA 0.00009602 0.41554 2.5
86 3WBF NAP 0.0008545 0.414 2.5
87 3P7I P7I 0.007508 0.41169 2.5
88 3FC2 IBI 0.001181 0.41082 2.5
89 3I28 34N 0.005415 0.40582 2.5
90 1TFZ 869 0.001429 0.4041 2.5
91 4F4S EFO 0.009235 0.42793 2.63158
92 4OHB 5HM 0.002347 0.40862 2.63158
93 1N13 AG2 0.03155 0.40162 2.65487
94 2QCX PF1 0.00005196 0.511 2.6616
95 2JBH 5GP 0.0007827 0.44695 2.66667
96 4IXW IXW 0.002782 0.42448 2.75591
97 1KTC NGA 0.0002102 0.47714 2.85714
98 3PVT 3HC 0.000172 0.44863 2.85714
99 3QV9 QV7 0.002068 0.44132 2.85714
100 1Q3Q ANP 0.0009888 0.43836 2.85714
101 2BP1 FLC 0.01377 0.43533 2.85714
102 3Q3C NAD 0.002762 0.42052 2.85714
103 1U5R ATP 0.001236 0.41871 2.85714
104 1DLJ UGA 0.003312 0.41602 2.85714
105 4DYO SD4 0.005143 0.41358 2.85714
106 3IB8 AMP 0.00006068 0.41047 2.85714
107 3I8P 840 0.002408 0.40821 2.85714
108 3BJE URA 0.02335 0.40726 2.85714
109 2V6O FAD 0.01531 0.40488 2.85714
110 2YHW BM3 0.002301 0.40121 2.85714
111 2XK9 XK9 0.003442 0.40048 2.85714
112 2IMP NAI 0.02302 0.40017 2.85714
113 2B4Q NAP 0.001569 0.40673 2.89855
114 1JA9 NDP 0.01581 0.40211 2.91971
115 2WGC SIA GAL BGC 0.02515 0.43089 2.92398
116 3O2K QRP 0.001723 0.42765 2.95359
117 4PO2 ASN ARG LEU LEU LEU THR GLY 0.0002939 0.41856 2.97872
118 3RO7 TDR 0.02929 0.40204 3.01887
119 1ZZ7 S0H 0.00795 0.41064 3.0303
120 2AE2 PTO 0.002249 0.41354 3.07692
121 2AE2 NAP 0.002249 0.41354 3.07692
122 3F8C HT1 0.001048 0.45417 3.1746
123 3PJU C2E 0.001759 0.40065 3.21285
124 1Y42 TYR 0.0003978 0.46548 3.21429
125 1RZM E4P 0.002101 0.45451 3.21429
126 4CCO OGA 0.0009854 0.44888 3.21429
127 4W6Z 8ID 0.0003408 0.43716 3.21429
128 1H82 FAD 0.001636 0.432 3.21429
129 1H82 GZZ 0.001886 0.432 3.21429
130 3WE0 FAD 0.0008744 0.43102 3.21429
131 4QWT ACD 0.001787 0.42562 3.21429
132 3FC4 EDO 0.002431 0.42334 3.21429
133 3WO0 ADP 0.001371 0.41648 3.21429
134 3WO0 ALA 0.001371 0.41648 3.21429
135 1V5F FAD 0.02823 0.41563 3.21429
136 1V5F TPP 0.02823 0.41563 3.21429
137 1GR0 NAD 0.008691 0.41424 3.21429
138 2OD9 A1R NCA 0.001013 0.41303 3.21429
139 1RZM PEP 0.007333 0.41212 3.21429
140 2P41 G1G 0.02195 0.40841 3.21429
141 2Q28 ADP 0.001314 0.40532 3.21429
142 2QV7 ADP 0.00304 0.40454 3.21429
143 2HW1 ANP 0.0007985 0.4014 3.21429
144 2Q37 3AL 0.004526 0.42648 3.31492
145 2EB5 OXL 0.000146 0.49972 3.37079
146 1NF8 BOG 0.001329 0.48185 3.38164
147 3S9K CIT 0.006684 0.48277 3.38983
148 1F5F DHT 0.0002881 0.4052 3.41463
149 2Y6P CTP 0.003994 0.4132 3.4188
150 2XDQ MGX 0.0003133 0.51261 3.57143
151 4RJK PYR 0.0007446 0.48413 3.57143
152 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.003633 0.45691 3.57143
153 4JHG ZEA 0.0001363 0.45338 3.57143
154 2RGH FAD 0.0003936 0.43987 3.57143
155 4RJK TPP 0.00004539 0.41736 3.57143
156 2CKM AA7 0.001943 0.4168 3.57143
157 4MRP GSH 0.02916 0.41602 3.57143
158 4OYA 1VE 0.0148 0.41505 3.57143
159 3WD1 ST7 0.003948 0.40797 3.57143
160 1EXB NDP 0.01239 0.40727 3.57143
161 2A0W DIH 0.002585 0.40409 3.57143
162 3A1I UNU 0.007773 0.40173 3.57143
163 3P9T TCL 0.01618 0.40682 3.65297
164 2NX1 PEP 0.0004339 0.42211 3.74532
165 2NX1 RP5 0.001551 0.40397 3.74532
166 1WNG SAH 0.0002553 0.4132 3.77358
167 2B82 ADN 0.0004841 0.40777 3.79147
168 2YCD GTB 0.005063 0.40467 3.91304
169 2ZJF BSU 0.0001311 0.47188 3.92857
170 1GSA ADP 0.00002899 0.45044 3.92857
171 4F8L GAL 0.01895 0.43779 3.92857
172 2BLE 5GP 0.002159 0.42909 3.92857
173 1TMX HGX 0.002023 0.42173 3.92857
174 4PB2 5UD 0.0009387 0.41427 3.92857
175 2HGZ PBF 0.0006781 0.41074 3.92857
176 3PC3 P1T 0.0004817 0.40895 3.92857
177 1N6B DMZ 0.003148 0.40526 3.92857
178 3DJL FAD 0.01722 0.40504 3.92857
179 2JHP GUN 0.01807 0.40357 3.92857
180 3IU9 T07 0.01235 0.4005 3.92857
181 1KDK DHT 0.0002902 0.41874 3.9548
182 1ULE GLA GAL NAG 0.02132 0.41308 4
183 1JUV NDP 0.001695 0.40117 4.14508
184 1Y75 NAG 0.005617 0.41201 4.23729
185 1OAA OAA 0.0005059 0.43938 4.2471
186 3B6C SDN 0.0003355 0.50221 4.2735
187 2F2U M77 0.0008732 0.43932 4.28571
188 4FWE FAD 0.0005318 0.43862 4.28571
189 2C5S AMP 0.002238 0.42833 4.28571
190 2Q8H TF4 0.01888 0.42167 4.28571
191 3TKA CTN 0.02108 0.42072 4.28571
192 2X1L MET 0.0198 0.411 4.28571
193 4N02 FNR 0.007093 0.40569 4.28571
194 2AMV BIN 0.007057 0.4042 4.28571
195 3UXL CFI 0.02555 0.40221 4.28571
196 1TV5 N8E 0.02893 0.40215 4.28571
197 3TKA SAM 0.001271 0.40203 4.28571
198 2Z77 NCA 0.0308 0.40073 4.31655
199 5UC9 MYR 0.04494 0.41286 4.42478
200 2QQC AG2 0.03345 0.40021 4.46429
201 3MD0 GDP 0.001481 0.43566 4.50704
202 1QY1 PRZ 0.0004823 0.40857 4.5977
203 3R35 4CO 0.0005161 0.42423 4.63576
204 1LVL FAD 0.0008397 0.43164 4.64286
205 2YB9 HA0 0.000418 0.42578 4.64286
206 2XCG XCG 0.0004891 0.42352 4.64286
207 2YPO PHE 0.0005047 0.42307 4.64286
208 2Z5Y HRM 0.02995 0.42259 4.64286
209 3TFC PEP 0.006023 0.41573 4.64286
210 1H0C AOA 0.01605 0.41306 4.64286
211 1I2B UPG 0.007749 0.4058 4.64286
212 1I2B NAD 0.007749 0.4058 4.64286
213 1I2B USQ 0.007749 0.4058 4.64286
214 4CMF PXG 0.006426 0.40566 4.64286
215 2R5T ANP 0.00103 0.405 4.64286
216 4M37 SAH 0.0006624 0.40098 4.64286
217 1XMY ROL 0.02574 0.40069 4.64286
218 3GX0 GDS 0.0009222 0.41046 4.65116
219 1MZV AMP 0.001712 0.42776 4.68085
220 2YC5 6BC 0.0003076 0.43736 4.82456
221 4B8V NDG NAG NAG NAG 0.00146 0.40328 4.82456
222 1Q3A NGH 0.02472 0.40158 4.84848
223 1T0S BML 0.001785 0.46566 5
224 1VDC FAD 0.002095 0.42142 5
225 2JFV FLC 0.012 0.41326 5
226 1K6M AGS 0.0006688 0.4111 5
227 4P4T GDP 0.001612 0.40622 5
228 4KCF AKM 0.0008495 0.40581 5
229 1BUC CAA 0.001162 0.40321 5
230 1DBT U5P 0.0005703 0.42169 5.02092
231 4OAS 2SW 0.0007578 0.46152 5.20833
232 1R6N 434 0.015 0.41631 5.21327
233 1T0I FMN 0.00016 0.41607 5.2356
234 3BHO B4P 0.01496 0.43497 5.28846
235 1GJW GLC 0.004105 0.44088 5.35714
236 2BJK NAD 0.001617 0.42935 5.35714
237 4C6F NCD 0.003811 0.41401 5.35714
238 4C6F DOR 0.003811 0.41401 5.35714
239 4KCT PYR 0.005505 0.41237 5.35714
240 1GJW MAL 0.00446 0.4113 5.35714
241 1TOI HCI 0.001105 0.41032 5.35714
242 4NE2 SH2 0.003583 0.40107 5.35714
243 1D09 PAL 0.0399 0.40021 5.35714
244 2BTO GTP 0.003049 0.40684 5.55556
245 3L1N PLM 0.0293 0.40186 5.6701
246 4BG1 IVL 0.0002281 0.42629 5.71429
247 4BG1 OGA 0.0002281 0.42629 5.71429
248 1LDM NAD 0.007279 0.41232 5.71429
249 1UMP SQA 0.0008674 0.40901 5.71429
250 2AQJ FAD 0.009684 0.40507 5.71429
251 2AQJ TRP 0.009279 0.40507 5.71429
252 9LDT NAD 0.002082 0.40402 5.71429
253 1V6A TRE 0.01683 0.40153 5.71429
254 1Y9Q MED 0.001704 0.45158 5.72917
255 4R3L COA 0.000242 0.40467 5.78035
256 2ZO9 MLI 0.003529 0.41297 5.83942
257 2B7N NTM 0.01375 0.40537 5.86081
258 2XD9 XD9 0.02166 0.41858 5.98802
259 3GJB AKG 0.0005167 0.45431 6.07143
260 1FIQ FAD 0.0012 0.41599 6.07143
261 4OJ8 AKG 0.0004282 0.40582 6.07143
262 1YS4 NAP 0.0008985 0.40318 6.07143
263 1XX4 BAM 0.0008228 0.45541 6.13027
264 2Z6D FMN 0.009222 0.40026 6.15385
265 1YOA FMN 0.001635 0.49706 6.28931
266 2FOI JPA 0.0004748 0.44979 6.3197
267 2Y7P SAL 0.006455 0.41446 6.42202
268 1I0Z OXM 0.001235 0.48242 6.42857
269 2Q1A 2KT 0.008898 0.41915 6.42857
270 1E4E PHY 0.001287 0.41808 6.42857
271 1E4E ADP 0.001389 0.40844 6.42857
272 2YVF NAD 0.01251 0.40227 6.42857
273 2YVF FAD 0.01364 0.40023 6.42857
274 2QLX RM4 0.002567 0.45044 6.48148
275 3U7Y FLC 0.03857 0.41969 6.66667
276 1TUV VK3 0.004026 0.45639 6.78571
277 1J78 OLA 0.004995 0.45012 6.78571
278 3GTD MLI 0.001976 0.44218 6.78571
279 1A05 IPM 0.01238 0.42336 6.78571
280 4LH7 NMN 0.021 0.41227 6.78571
281 3GE7 AFQ 0.001617 0.41034 6.78571
282 4GQB 0XU 0.008517 0.4028 6.78571
283 1ME8 RVP 0.02195 0.40098 6.78571
284 2H6B 3C4 0.005732 0.41057 6.8
285 1SJW NGV 0.001871 0.41219 6.94444
286 1QD0 RR6 0.003028 0.41325 7.03125
287 1QO0 BMD 0.002944 0.44086 7.14286
288 1PEA ACM 0.01625 0.41887 7.14286
289 1WDA BAG 0.005837 0.41133 7.14286
290 3MPI GRA 0.007737 0.40508 7.14286
291 4DS8 A8S 0.01386 0.40248 7.14286
292 3WBG 2AN 0.01094 0.40731 7.18954
293 1EP2 ORO 0.0008121 0.42174 7.27969
294 1XVB 3BR 0.007213 0.42408 7.5
295 1O7N IND 0.001019 0.40145 7.5
296 3UEC ALA ARG TPO LYS 0.005481 0.435 7.53425
297 3NCQ ATP 0.0004194 0.41023 7.56302
298 3G9E RO7 0.0002581 0.47188 7.74908
299 3H86 AP5 0.001405 0.43157 7.8125
300 3B9Z CO2 0.02167 0.42687 7.85714
301 1XE7 GUN 0.01277 0.43091 7.88177
302 1S8F GDP 0.002382 0.41269 7.9096
303 2CSN CKI 0.0006732 0.41257 8.21429
304 2PT9 2MH 0.001623 0.41156 8.21429
305 5BTX CMP 0.0498 0.40846 8.21918
306 1DB1 VDX 0.001322 0.43997 8.49421
307 4M5P 23W 0.0002009 0.51179 8.57143
308 4M5P MLA 0.00179 0.48392 8.57143
309 2WA4 069 0.0002918 0.45224 8.57143
310 3P3N AKG 0.01176 0.41366 8.57143
311 3Q9T FAY 0.008258 0.41238 8.57143
312 3KP6 SAL 0.01163 0.43123 8.60927
313 2EWM NAD 0.0008097 0.4177 8.83534
314 1EJE FMN 0.00174 0.40508 8.85417
315 2O66 FLC 0.01237 0.40739 8.88889
316 3W54 RNB 0.00001967 0.42632 8.92857
317 3NKS FAD 0.0007789 0.4261 8.92857
318 4CO3 ATP 0.005204 0.40184 8.92857
319 4IAE 1DX 0.003252 0.41589 8.99471
320 3ET1 ET1 0.000145 0.44581 9.28571
321 3CF6 SP1 0.003959 0.40038 9.28571
322 3OQJ 3CX 0.02722 0.40353 9.33852
323 3KDU NKS 0.00003434 0.51558 9.38628
324 1GU3 BGC BGC BGC BGC BGC 0.007901 0.41075 9.39597
325 3RF4 FUN 0.0086 0.40919 9.48276
326 4K5S PM0 0.007558 0.40232 9.64286
327 4K5S FAD 0.003045 0.40107 9.64286
328 4B6C B5U 0.01147 0.40274 9.69388
329 2P54 735 0.001945 0.40315 9.73783
330 2ALG DAO 0.0001701 0.42199 9.78261
331 2ALG HP6 0.0001701 0.42199 9.78261
332 1HDR NAD 0.0006645 0.44016 9.83607
333 1RYI GOA 0.001369 0.42417 10
334 4R33 TRP 0.001797 0.4088 10
335 4R33 SAH 0.001797 0.4088 10
336 1RYI FAD 0.005025 0.40237 10
337 1RL4 BL5 0.01426 0.4093 10.1064
338 3BRE C2E 0.003686 0.43646 10.3571
339 3HYW DCQ 0.02132 0.41517 10.3571
340 4K30 NLG 0.009468 0.40743 10.625
341 1I7L ATP 0.0009909 0.40367 10.7143
342 2VWA PTY 0.02866 0.40928 10.8911
343 4DK7 0KS 0.0001317 0.48095 10.9312
344 2G86 UMP 0.002298 0.42086 11.0714
345 1N4H REA 0.00326 0.40975 11.1969
346 2JAR UMP 0.0002937 0.40773 11.5
347 4TMK T5A 0.001115 0.41445 11.7371
348 4LWU 20U 0.0007177 0.46262 11.7647
349 1F1V DHY 0.002211 0.42855 11.7857
350 1NQ7 ARL 0.00327 0.4164 11.8852
351 2IYG FMN 0.0002304 0.45618 12.0968
352 3T31 DCQ 0.007993 0.40675 12.1429
353 2PRG BRL 0.001998 0.40232 12.5
354 4I67 G G G RPC 0.01122 0.41464 12.6437
355 1HG4 LPP 0.001372 0.40445 12.9032
356 3SHR CMP 0.0001325 0.47169 13.2143
357 2GJ3 FAD 0.0005818 0.40917 13.3333
358 3U5S FAD 0.0006336 0.40395 13.4921
359 3R51 MMA 0.008817 0.43909 13.75
360 1YRX FMN 0.0004687 0.43396 14.0496
361 3IA4 MTX 0.01073 0.4077 14.1975
362 1XAP TTB 0.0002571 0.46367 14.2322
363 4DM8 REA 0.0006308 0.43909 14.2322
364 5OCA 9QZ 0.03073 0.43491 14.2857
365 1C1L GAL BGC 0.01141 0.42004 16.0584
366 2Q09 DI6 0.002029 0.43007 16.0714
367 1FCZ 156 0.0003234 0.44426 16.1702
368 1XIU REA 0.00002176 0.52092 16.9565
369 1V7R CIT 0.02702 0.42123 17.2043
370 2ZWS PLM 0.03189 0.42508 17.5
371 4NAT ADP 0.01127 0.41315 18.125
372 2GDZ NAD 0.00112 0.41159 18.3521
373 2E1A MSE 0.0007535 0.44762 18.6667
374 1SS4 CIT 0.00001957 0.65052 18.9542
375 1SS4 GSH 0.01522 0.44688 18.9542
376 2YGN PCF 0.001177 0.40941 19.2308
377 3GYT DL4 0.001091 0.42321 19.2623
378 2IZ1 ATR 0.002797 0.44187 20.3571
379 3KO0 TFP 0.00357 0.45047 20.7921
380 3KMR EQN 0.0002993 0.46537 21.4286
381 1NRL SRL 0.001405 0.43211 21.4286
382 4QJR PIZ 0.0004534 0.42797 21.6327
383 3BEJ MUF 0.0007119 0.43693 22.2689
384 3DCT 064 0.0007831 0.42341 22.5532
385 3RUU 37G 0.0002881 0.4225 23.1441
386 1ZDT PEF 0.00048 0.42774 23.2365
387 1YMT DR9 0.0008275 0.44284 23.9837
388 4POJ 2VP 0.00001278 0.51097 24.2424
389 1YP0 PEF 0.0005503 0.44152 24.2678
390 2YLD CMO 0.004864 0.44599 24.4094
391 3H0A 9RA 0.00001833 0.48576 24.5614
392 1FBY REA 0.00003354 0.4839 26.3598
393 1FM9 9CR 0.00001648 0.49344 26.4706
394 1FM9 570 0.001415 0.43594 26.4706
395 1DR1 HBI 0.0008261 0.42522 26.9841
396 1DR1 NAP 0.0008261 0.42522 26.9841
397 1DKF OLA 0.000004014 0.56773 27.0386
398 1DKF BMS 0.000005248 0.52458 27.0386
399 1YUC EPH 0.0004841 0.43234 29.0196
400 1PZL MYR 0.0009371 0.44799 29.5359
401 1YYE 196 0.0000001389 0.6359 30.2239
402 3IPQ 965 0.00001541 0.45609 30.3571
403 3FS1 MYR 0.0002504 0.43357 30.4348
404 2I0G I0G 0.0000001362 0.63774 33.0739
405 2E2R 2OH 0.00000002818 0.64473 34.4262
406 2QA8 GEN 0.000001001 0.59588 40.3101
407 2QZO KN1 0.0000005475 0.58496 40.3101
408 2BJ4 OHT 0.000000009943 0.62036 41.2698
409 3UUA 0CZ 0.0000001353 0.6555 41.4343
410 3UU7 2OH 0.000001073 0.63077 41.4343
411 3UUD EST 0.0000001267 0.54302 41.4343
412 5AAV GW5 0.001184 0.4038 41.6667
413 2QE4 JJ3 0.0004075 0.41599 42.3387
Pocket No.: 2; Query (leader) PDB : 1NHZ; Ligand: 486; Similar sites found: 60
This union binding pocket(no: 2) in the query (biounit: 1nhz.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5V4R MGT 0.01118 0.41963 None
2 5EW9 5VC 0.02302 0.42899 1.84502
3 3RET SAL 0.009074 0.40768 1.9802
4 3WYJ H78 0.01654 0.42154 2.37154
5 2QHD DAO 0.01932 0.40926 2.45902
6 4DXJ 0M9 0.01137 0.40185 2.5
7 4DXJ IPE 0.013 0.40175 2.5
8 5KDX GAL TNR 0.02961 0.40294 2.85714
9 4D4U FUC GAL NAG 0.02022 0.40815 3.21429
10 2RKN LP3 0.007667 0.41108 3.8961
11 5J32 IPM 0.02089 0.40807 3.92857
12 3WCA FPS 0.007852 0.40621 3.92857
13 4HIA FMN 0.0119 0.40694 3.97727
14 5DCH 1YO 0.02719 0.4018 4.16667
15 4HBM 0Y7 0.003351 0.40168 4.16667
16 5DEY 59T 0.02651 0.40426 4.28571
17 5B4B LP5 0.004977 0.41772 4.43548
18 4OGN 2U5 0.004808 0.40052 4.7619
19 4YV5 SVR 0.003487 0.47615 4.91803
20 4B7P 9UN 0.009455 0.42134 5.21739
21 5IBE 69M 0.0112 0.4103 5.35714
22 2P1C GG3 0.008469 0.40751 5.35714
23 5IR4 ZPE 0.005337 0.43009 5.71429
24 5L2J 6UL 0.01383 0.4253 5.71429
25 5L2J 70E 0.01467 0.4253 5.71429
26 2Q2Y MKR 0.03017 0.41436 5.71429
27 2Q2Y ADP 0.03017 0.41436 5.71429
28 4R29 SAM 0.01585 0.40395 5.80357
29 1N83 CLR 0.002225 0.40011 5.92593
30 3R1V AZB 0.005442 0.41017 6.29921
31 3Q8G PEE 0.02429 0.40752 6.42857
32 1DMH LIO 0.01294 0.41139 6.78571
33 3LDW ZOL 0.01309 0.40162 6.78571
34 5CSD ACD 0.0208 0.4 6.91824
35 3ET3 ET1 0.0001624 0.4679 7.5
36 3T03 3T0 0.0003057 0.4377 7.5
37 4HEE 14R 0.001575 0.42618 7.5
38 3B1M KRC 0.002358 0.42066 7.5
39 2HFP NSI 0.005773 0.40747 7.5
40 5EXA 5SO 0.00976 0.41859 7.82609
41 4GID 0GH 0.04309 0.41384 8.21429
42 4MNS 2AX 0.001798 0.45676 9.43396
43 3FEI CTM 0.001915 0.42812 9.73783
44 1JQ9 PHE LEU SER TYR LYS 0.01092 0.40634 9.91736
45 5N18 8HZ 0.006607 0.43454 11.0092
46 4UCC ZKW 0.02899 0.41408 11.1588
47 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.01126 0.41549 11.8852
48 3ANY 2A3 0.0142 0.41188 14.0684
49 3G08 FEE 0.01923 0.41237 14.1414
50 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 0.01959 0.40214 14.1414
51 2LBD REA 0.0001806 0.47418 14.2322
52 3O55 FAD 0.008622 0.40299 15.2
53 5HCN DAO 0.01475 0.41406 18.7739
54 1M13 HYF 0.000359 0.47114 21.4286
55 1YOK P6L 0.00001697 0.53654 22.6562
56 5ICK FEZ 0.003756 0.41372 23.1441
57 5UNJ RJW 0.0001934 0.44701 23.6735
58 4M8E 29V 0.000004669 0.53816 24.2424
59 1G2N EPH 0.004697 0.41133 32.9545
60 1U3R 338 0.00000003044 0.60735 33.61
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