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TargetCytochrome P450 2D6
LigandBDBM50252775
Substrate/Competitorn/a
Meas. Tech.ChEMBL_539795 (CHEMBL1035788)
IC50>25000±n/a nM
Citation Pettus, LHXu, SCao, GQChakrabarti, PPRzasa, RMSham, KWurz, RPZhang, DMiddleton, SHenkle, BPlant, MHSaris, CJSherman, LWong, LMPowers, DATudor, YYu, VLee, MRSyed, RHsieh, FTasker, AS 3-amino-7-phthalazinylbenzoisoxazoles as a novel class of potent, selective, and orally available inhibitors of p38alpha mitogen-activated protein kinase. J Med Chem51:6280-92 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2D6
Name:Cytochrome P450 2D6
Synonyms:CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1
Type:Protein
Mol. Mass.:55774.82
Organism:Homo sapiens (Human)
Description:P10635
Residue:497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50252775
n/a
NameBDBM50252775
Synonyms:6-(3-(cyclopropylamino)-6-methylbenzo[d]isoxazol-7-yl)-N-isopropylphthalazin-1-amine | CHEMBL495492
TypeSmall organic molecule
Emp. Form.C22H23N5O
Mol. Mass.373.4509
SMILESCC(C)Nc1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: