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TargetCytochrome P450 2D6
LigandBDBM50192750
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1613612
IC50 7800±n/a nM
Citation Tice, CMNoto, PBFan, KYZhao, WLotesta, SDDong, CMarcus, APZheng, YJChen, GWu, ZVan Orden, RZhou, JBukhtiyarov, YZhao, YLipinski, KHoward, LGuo, JKandpal, GMeng, SHardy, AKrosky, PGregg, RELeftheris, KMcKeever, BMSingh, SBLala, DMcGeehan, GMZhuang, LClaremon, DA Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core. Bioorg Med Chem Lett26:5044-5050 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2D6
Name:Cytochrome P450 2D6
Synonyms:CYPIID6 | Cytochrome P450 2D6 | 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:
BDBM50192750
NameBDBM50192750
Synonyms:CHEMBL3940521
TypeSmall organic molecule
Emp. Form.C22H26N4O3S
Mol. Mass.426.532
SMILESCOc1cc(ccn1)N1Cc2cn(nc2[C@H]1C(C)(C)C)-c1cccc(c1)S(C)(=O)=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a