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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2hi4.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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