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TargetCytochrome P450 1A
LigandBDBM50236897
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1655298
IC50 6290±n/a nM
Citation Metcalf, BChuang, CDufu, KPatel, MPSilva-Garcia, AJohnson, CLu, QPartridge, JRPatskovska, LPatskovsky, YAlmo, SCJacobson, MPHua, LXu, QGwaltney, SLYee, CHarris, JMorgan, BPJames, JXu, DHutchaleelaha, APaulvannan, KOksenberg, DLi, Z Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin. ACS Med Chem Lett8:321-326 (2017) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 1A
Name:Cytochrome P450 1A
Synonyms:1.14.14.1 | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A2 | Cytochrome P450 4 | Cytochrome P450-P3
Type:PROTEIN
Mol. Mass.:58423.38
Organism:Homo sapiens (Human)
Description:ChEMBL_109705
Residue:516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50236897
NameBDBM50236897
Synonyms:3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H,7H)-dione | CHEMBL405845 | US9180183, Furafylline | furafylline
TypeSmall organic molecule
Emp. Form.C12H12N4O3
Mol. Mass.260.2487
SMILESCc1nc2n(Cc3ccco3)c(=O)n(C)c(=O)c2[nH]1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
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