Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 1A
LigandBDBM50041430
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1443599
IC50>3000±n/a nM
Citation Iwata YAndo KTaniguchi KKoba NSugiura ASudo M Identification of a highly potent and selective CB2 agonist, RQ-00202730, for the treatment of irritable bowel syndrome. Bioorg Med Chem Lett 25:236-40 (2014) [PubMed]  Article
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:
BDBM50041430
n/a
NameBDBM50041430
Synonyms:CHEMBL3357391
TypeSmall organic molecule
Emp. Form.C21H34N4O3S
Mol. Mass.422.585
SMILESCN(C)CCn1c(CC(C)(C)C)nc2cc(ccc12)S(=O)(=O)C1CN(CCO)C1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: