-->
Receptor
PDB id Resolution Class Description Source Keywords
2HI4 1.95 Å EC: 1.14.14.1 CRYSTAL STRUCTURE OF HUMAN MICROSOMAL P450 1A2 IN COMPLEX WI NAPHTHOFLAVONE HOMO SAPIENS CYP1A2 P450 1A2 P450 MONOOXYGENASE DRUG METABOLIZING ENZALPHA-NAPHTHOFLAVONE BENZO(H)FLAVONE 7 8-BENZOFLAVONE OXIDOREDUCTASE HEME
Ref.: ADAPTATIONS FOR THE OXIDATION OF POLYCYCLIC AROMATI HYDROCARBONS EXHIBITED BY THE STRUCTURE OF HUMAN P4 J.BIOL.CHEM. V. 282 14348 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BHF A:800;
Valid;
none;
Ki = 25 nM
272.297 C19 H12 O2 c1ccc...
HEM A:900;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HI4 1.95 Å EC: 1.14.14.1 CRYSTAL STRUCTURE OF HUMAN MICROSOMAL P450 1A2 IN COMPLEX WI NAPHTHOFLAVONE HOMO SAPIENS CYP1A2 P450 1A2 P450 MONOOXYGENASE DRUG METABOLIZING ENZALPHA-NAPHTHOFLAVONE BENZO(H)FLAVONE 7 8-BENZOFLAVONE OXIDOREDUCTASE HEME
Ref.: ADAPTATIONS FOR THE OXIDATION OF POLYCYCLIC AROMATI HYDROCARBONS EXHIBITED BY THE STRUCTURE OF HUMAN P4 J.BIOL.CHEM. V. 282 14348 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2HI4 Ki = 25 nM BHF C19 H12 O2 c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2HI4 Ki = 25 nM BHF C19 H12 O2 c1ccc(cc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2HI4 Ki = 25 nM BHF C19 H12 O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BHF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BHF 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HI4; Ligand: BHF; Similar sites found with APoc: 131
This union binding pocket(no: 1) in the query (biounit: 2hi4.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5U8U FAD 1.0395
2 1DRJ RIP 1.47601
3 2RAB NAD 1.51188
4 5IM3 DTP 1.61616
5 4OUE IPT 1.70576
6 2Y7I ARG 1.74672
7 4DSG FAD 1.8595
8 4DSG UDP 1.8595
9 2Q8G AZX 1.9656
10 5EXW 7DT 2
11 4B6C B5U 2.04082
12 5V3Y 5V8 2.0979
13 3LAD FAD 2.10084
14 4B1V LAB 2.12766
15 5AZC PGT 2.33333
16 4GCZ FMN 2.33766
17 1I0B PEL 2.40964
18 4WGF HX2 2.43902
19 1RDT 570 2.47934
20 4HEE 14R 2.48227
21 1FM9 570 2.57353
22 5NM7 GLY 2.63158
23 3H0A D30 2.63158
24 4RVU NDP 2.71084
25 5O22 C3R 2.76817
26 3B1M KRC 2.82686
27 5J5Z FAD 2.82828
28 4JD3 PLM 2.83286
29 4JD3 COA 2.83286
30 5KOD IAC 3.0303
31 2G36 TRP 3.23529
32 1FDJ 13P 3.30579
33 4QEK GLC 3.32226
34 1GET NAP 3.33333
35 2QJY SMA 3.34572
36 5EW0 3C7 3.4188
37 6BYM HC3 3.44828
38 5LXT GTP 3.4965
39 3GZ9 D32 3.71747
40 5U83 ZN8 3.77358
41 1RPJ ALL 3.81944
42 5LX9 OLB 3.90879
43 4LIT AKG 3.9312
44 4I90 CHT 3.9604
45 6H8S FSZ 3.98671
46 1SZO CAX 4.28016
47 4M52 M52 4.29185
48 4M52 FAD 4.29185
49 3NIP 16D 4.29448
50 2A8X FAD 4.31034
51 1GJW GLC 4.44444
52 1Y4Z PCI 4.44444
53 2GBB CIT 4.48718
54 5UGW GSH 4.57143
55 5Y02 HBX 4.6729
56 3WFD AXO 4.69484
57 5OSW DIU 4.84848
58 3CF6 SP1 4.84848
59 1EWK GLU 4.89796
60 3KO0 TFP 4.9505
61 2YPO PHE 5.19481
62 1R6N 434 5.21327
63 4B52 RDF 5.26316
64 5XFV FMN 5.38922
65 3RYC GTP 5.59441
66 1RL4 BL5 5.85106
67 1RL4 BRR 5.85106
68 1ZPD CIT 5.85859
69 5WP4 PC 5.90631
70 2HJ4 PNZ 5.92593
71 4NG2 OHN 5.97826
72 3LXI CAM 6.4133
73 1XVB BHL 6.42674
74 6D6L FY4 6.47059
75 5C9J DAO 6.76157
76 2V57 PRL 6.84211
77 6BT4 KPM 6.93069
78 1A99 PUT 6.97674
79 1J78 OLA 7.64192
80 1L0I PSR 7.69231
81 5CHR 4NC 8.0292
82 4UCC ZKW 8.15451
83 5N18 8HZ 8.25688
84 3KP6 SAL 8.60927
85 1GPE FAD 8.68687
86 1Z8O DEB 8.91089
87 3FEI CTM 8.98876
88 4L77 CNL 9.04523
89 5W7B MYR 9.21986
90 3TTM PUT 9.53757
91 2IOY RIP 9.54064
92 2YOO K2B 9.58231
93 2XFH CL6 10.219
94 3C3N FMN 10.8974
95 4OQR 2UO 11.1597
96 5DLY 5D7 11.2782
97 2QEH SRO 11.7241
98 3B6C SDN 11.9658
99 1N8V BDD 12.5
100 1RV1 IMZ 12.9412
101 3CXH SMA 15.3846
102 4LNU GTP 15.3846
103 5EIB GTP 15.3846
104 3CX5 SMA 15.3846
105 4OGQ 7PH 15.6425
106 3NGU ADP 15.894
107 3RUG DB6 16.1616
108 2WH8 II2 16.2228
109 4JX1 CAH 17.3494
110 4JX1 CAM 17.3494
111 4DO1 ANN 17.561
112 5IBE 69M 17.6768
113 4UBS DIF 17.8117
114 4JGX PLM 17.8295
115 3ABA FLI 19.603
116 6M7X JD7 19.6281
117 6GK6 MYR 19.9513
118 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 20
119 5FOI MY8 20.5882
120 3A51 VDY 21.1679
121 3R9C ECL 21.2919
122 4J6C STR 22.1951
123 5SVV FMN 22.6277
124 5L92 C0R 22.9268
125 5L92 MLA 22.9268
126 4B7S QLE 23.8532
127 1SQK LAR 32
128 3MDV CL6 40.5702
129 4XRZ SI6 48.2255
130 4NKW PLO 48.583
131 4RQL SNE 49.3697
APoc FAQ
Feedback