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Receptor
PDB id Resolution Class Description Source Keywords
1DQE 1.8 Å NON-ENZYME: TRANSPORT BOMBYX MORI PHEROMONE BINDING PROTEIN BOMBYX MORI HELICAL BUNDLE TRANSPORT PROTEIN
Ref.: SEXUAL ATTRACTION IN THE SILKWORM MOTH: STRUCTURE OF THE PHEROMONE-BINDING-PROTEIN-BOMBYKOL COMPLEX. CHEM.BIOL. V. 7 143 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BOM A:300;
B:400;
Valid;
Valid;
none;
none;
submit data
238.409 C16 H30 O CCCC=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DQE 1.8 Å NON-ENZYME: TRANSPORT BOMBYX MORI PHEROMONE BINDING PROTEIN BOMBYX MORI HELICAL BUNDLE TRANSPORT PROTEIN
Ref.: SEXUAL ATTRACTION IN THE SILKWORM MOTH: STRUCTURE OF THE PHEROMONE-BINDING-PROTEIN-BOMBYKOL COMPLEX. CHEM.BIOL. V. 7 143 2000
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1DQE - BOM C16 H30 O CCCC=C/C=C....
2 2P70 - PRZ C9 H14 N2 O CC(C)Cc1c(....
3 2P71 - IHD C16 H33 I CCCCCCCCCC....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 1DQE - BOM C16 H30 O CCCC=C/C=C....
2 2P70 - PRZ C9 H14 N2 O CC(C)Cc1c(....
3 2P71 - IHD C16 H33 I CCCCCCCCCC....
4 4INW - 1EY C16 H28 O CC/C=CC=C/....
5 4INX - 1EX C16 H30 O CC/C=CC=C/....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 1DQE - BOM C16 H30 O CCCC=C/C=C....
2 2P70 - PRZ C9 H14 N2 O CC(C)Cc1c(....
3 2P71 - IHD C16 H33 I CCCCCCCCCC....
4 4INW - 1EY C16 H28 O CC/C=CC=C/....
5 4INX - 1EX C16 H30 O CC/C=CC=C/....
6 2WC5 - BOM C16 H30 O CCCC=C/C=C....
7 2WCH - B7M C16 H28 O CCCC=C/C=C....
8 2WC6 - BOM C16 H30 O CCCC=C/C=C....
9 2WCM - B9M C16 H28 O CCCC#CC=CC....
10 2WCJ - M21 C14 H26 O CC=C/C=C/C....
11 2WCL - B8M C16 H30 O CCCCCC=C/C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BOM; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 BOM 1 1
2 B8M 0.794118 0.913043
3 1EX 0.722222 0.952381
4 M21 0.648649 0.904762
5 ODD 0.466667 0.692308
6 1DO 0.441176 0.826087
7 PL3 0.441176 0.826087
8 F09 0.441176 0.826087
9 DE1 0.441176 0.826087
10 O8N 0.441176 0.826087
11 OC9 0.441176 0.826087
12 B9M 0.4375 0.954545
13 HE4 0.411765 0.826087
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DQE; Ligand: BOM; Similar sites found with APoc: 93
This union binding pocket(no: 1) in the query (biounit: 1dqe.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 5ET3 60C None
3 1UO5 PIH None
4 4WG0 CHD None
5 3KP6 SAL None
6 4RYV ZEA None
7 1SQ5 PAU None
8 4EHQ GBL None
9 3BPX SAL None
10 1ZEI CRS None
11 1SQL GUN None
12 5X80 SAL None
13 6BE0 IHP None
14 2OZ5 7XY 2.18978
15 3OLL EST 2.18978
16 3V1S 0LH 2.18978
17 1YUC EPH 2.18978
18 3RV5 DXC 2.24719
19 4UBS DIF 2.91971
20 1NX4 AKG 2.91971
21 1QNF FAD 3.64964
22 1DTL BEP 3.64964
23 1UZ4 IFL 3.64964
24 4GN8 ASO 4.37956
25 4RQL SNE 4.37956
26 2YLD CMO 4.72441
27 5LX9 OLB 5.10949
28 3PE2 E1B 5.10949
29 5DXE EST 5.10949
30 2QE4 JJ3 5.10949
31 4RW3 TDA 5.10949
32 4TUZ 36J 5.10949
33 4Q9M FPP 5.10949
34 4MGA 27L 5.10949
35 5TVI MYR 5.43478
36 2ALG DAO 5.43478
37 4LED XXR 5.83942
38 1Q7E MET 5.83942
39 2OG7 SIN 5.83942
40 3W5N RAM 5.83942
41 4WGF HX2 5.83942
42 4M26 AKG 5.83942
43 5YF9 NIO 5.83942
44 5LWY OLB 6.54206
45 5FPN KYD 6.56934
46 3UUA 0CZ 6.56934
47 3UU7 2OH 6.56934
48 5WGD EST 6.56934
49 3T3Z 9PL 6.56934
50 4MG7 27H 6.56934
51 2DVX 23A 6.56934
52 4MGB XDH 6.56934
53 3UUD EST 6.56934
54 5WGQ EST 6.56934
55 5C9J DAO 6.56934
56 4V24 GYR 6.56934
57 5HYR EST 6.56934
58 4TV1 36M 6.56934
59 4MG8 27J 6.56934
60 5NM7 GLY 7.29927
61 3H2K BOG 7.29927
62 1T0S BML 7.29927
63 5DMM HCS 7.29927
64 1DMH LIO 8.0292
65 4OGQ 7PH 8.0292
66 3MPI GRA 8.0292
67 6A0S NDP 8.75912
68 3BJC WAN 8.75912
69 3DSK T25 8.75912
70 6GMN F4E 9.48905
71 3W54 RNB 9.48905
72 1Y9Q MED 9.48905
73 5OSW DIU 10.219
74 4DXJ 0M9 10.219
75 5MZI FYK 10.9489
76 4URX FK1 10.9489
77 4DK7 0KS 10.9489
78 3RS8 ALA TRP LEU PHE GLU ALA 10.9489
79 3HRD MCN 11.6788
80 3D78 NBB 11.7647
81 3RMK BML 12.0482
82 2CIX CEJ 12.4088
83 3FC4 EDO 13.1387
84 5OCA 9QZ 13.8686
85 3V99 ACD 14.5985
86 5DCH 1YO 15.3285
87 1JAY F42 15.3285
88 1MID LAP 18.6813
89 5W97 CHD 18.9781
90 2Y69 CHD 18.9781
91 5Z84 CHD 18.9781
92 5ZCO CHD 18.9781
93 1HG4 LPP 24.0876
Pocket No.: 2; Query (leader) PDB : 1DQE; Ligand: BOM; Similar sites found with APoc: 38
This union binding pocket(no: 2) in the query (biounit: 1dqe.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5CHR 4NC None
2 3AGC RCC None
3 5FLJ QUE None
4 2A1L PCW 1.45985
5 3IPQ 965 2.18978
6 3NW7 LGV 2.18978
7 3R6U CHT 2.91971
8 5IXH OTP 2.91971
9 4OOE NDP 2.91971
10 3KDU NKS 2.91971
11 3FAL LO2 2.91971
12 5NKB 8ZT 2.91971
13 2E2R 2OH 3.64964
14 4LSJ LSJ 3.64964
15 5L7G 6QE 3.64964
16 5HCV 60R 3.64964
17 5AAV GW5 5.10949
18 6AC9 ANP 5.10949
19 5BTX CMP 5.10949
20 4XH0 ADP 5.10949
21 5O4J PJL 6.56934
22 5O4J SAH 6.56934
23 5DX0 SFG 7.29927
24 5DX1 SFG 7.29927
25 4B2Z P5S 8.0292
26 1EWF PC1 8.0292
27 1FFU CDP 9.48905
28 4UDK BMA 9.48905
29 5ECP MET 10.219
30 3KFC 61X 11.6788
31 3E8T UQ8 12.4088
32 4KCF AKM 12.4088
33 2C42 TPP 13.1387
34 2C42 PYR 13.1387
35 1YKD CMP 13.1387
36 3STD MQ0 13.8686
37 5L1O 7PF 14.5985
38 5K13 6Q7 15.3285
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