Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 1A
LigandBDBM50086062
Substrate/Competitorn/a
Meas. Tech.ChEMBL_51356
IC50 7000±n/a nM
Citation Bromidge SMDabbs SDavies DTDavies SDuckworth DMForbes ITGaster LMHam PJones GEKing FDMulholland KRSaunders DVWyman PABlaney FEClarke SEBlackburn TPHolland VKennett GALightowler SMiddlemiss DNTrail BRiley GJWood MD Biarylcarbamoylindolines are novel and selective 5-HT(2C) receptor inverse agonists: identification of 5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]- 5-pyridyl]carbamoyl]-6-trifluoromethylindoline (SB-243213) as a potential antidepressant/anxiolytic agent. J Med Chem 43:1123-34 (2000) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 1A
Name:Cytochrome P450 1A
Synonyms:CYPIA2 | Cytochrome P450 1A2 | Cytochrome P450 1A2 (CYP1A2)
Type:Enzyme
Mol. Mass.:58310.23
Organism:Homo sapiens (Human)
Description:n/a
Residue:515
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARRFSIN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50086062
n/a
NameBDBM50086062
Synonyms:5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid (3-bromo-5-pyridin-3-yl-phenyl)-amide | CHEMBL14368 | TCMDC-139024
TypeSmall organic molecule
Emp. Form.C22H17BrF3N3O2
Mol. Mass.492.288
SMILESCOc1cc2CCN(C(=O)Nc3cc(Br)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: