Reaction Details Report a problem with these data
Target
Camphor 5-monooxygenase
Ligand
BDBM50149348
Substrate
n/a
Meas. Tech.
ChEMBL_52092 (CHEMBL663986)
IC50
800±n/a nM
Citation
 Verras, A; Kuntz, ID; Ortiz de Montellano, PR Computer-assisted design of selective imidazole inhibitors for cytochrome p450 enzymes. J Med Chem 47:3572-9 (2004) [PubMed]  Article 
Target
Name:
Camphor 5-monooxygenase
Synonyms:
CPXA_PSEPU | Cytochrome P450-cam | camC | cyp101
Type:
PROTEIN
Mol. Mass.:
46658.12
Organism:
Pseudomonas putida
Description:
ChEMBL_52092
Residue:
415
Sequence:
MTTETIQSNANLAPLPPHVPEHLVFDFDMYNPSNLSAGVQEAWAVLQESNVPDLVWTRCNGGHWIATRGQLIREAYEDYRHFSSECPFIPREAGEAYDFIPTSMDPPEQRQFRALANQVVGMPVVDKLENRIQELACSLIESLRPQGQCNFTEDYAEPFPIRIFMLLAGLPEEDIPHLKYLTDQMTRPDGSMTFAEAKEALYDYLIPIIEQRRQKPGTDAISIVANGQVNGRPITSDEAKRMCGLLLVGGLDTVVNFLSFSMEFLAKSPEHRQELIERPERIPAACEELLRRFSLVADGRILTSDYEFHGVQLKKGDQILLPQMLSGLDERENACPMHVDFSRQKVSHTTFGHGSHLCLGQHLARREIIVTLKEWLTRIPDFSIAPGAQIQHKSGIVSGVQALPLVWDPATTKAV
  
Inhibitor
Name:
BDBM50149348
Synonyms:
1-(2-Ethyl-butyl)-1H-imidazole | CHEMBL330775
Type:
Small organic molecule
Emp. Form.:
C9H16N2
Mol. Mass.:
152.2367
SMILES:
CCC(CC)Cn1ccnc1
Structure:
Search PDB for entries with ligand similarity: