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TargetSterol 14-alpha demethylase
LigandBDBM29346
Substrate/CompetitorBDBM10852
Meas. Tech.Spectral Titration of TCCYP51
pH7.4±n/a
Temperature297.15±n/a K
Kd 3300±480 nM
Citation Konkle, MEHargrove, TYKleshchenko, YYvon Kries, JPRidenour, WUddin, MJCaprioli, RMMarnett, LJNes, WDVillalta, FWaterman, MRLepesheva, GI Indomethacin amides as a novel molecular scaffold for targeting Trypanosoma cruzi sterol 14alpha-demethylase. J Med Chem52:2846-53 (2009) [PubMed]  Article
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Sterol 14-alpha demethylase
Name:Sterol 14-alpha demethylase
Synonyms:CP51_TRYCC | CYP51 | Cytochrome P450 51 | Lanosterol 14-alpha demethylase | Sterol 14α-demethylase (CYP51) | Sterol 14-alpha demethylase | Sterol 14-alpha demethylase (CYP51) | Tc14DM
Type:Protein
Mol. Mass.:54690.12
Organism:Trypanosoma cruzi
Description:Q7Z1V1
Residue:481
Sequence:
MFIEAIVLALTALILYSVYSVKSFNTTRPTDPPVYPVTVPFLGHIVQFGKNPLEFMQRCK
RDLKSGVFTISIGGQRVTIVGDPHEHSRFFSPRNEILSPREVYTIMTPVFGEGVAYAAPY
PRMREQLNFLAEELTIAKFQNFVPAIQHEVRKFMAENWKEDEGVINLLEDCGAMIINTAC
QCLFGEDLRKRLNARHFAQLLSKMESSLIPAAVFMPWLLRLPLPQSARCREARAELQKIL
GEIIVAREKEEASKDNNTSDLLGGLLKAVYRDGTRMSLHEVCGMIVAAMFAGQHTSTITT
SWSMLHLMHPKNKKWLDKLHKEIDEFPAQLNYDNVMDEMPFAERCVRESIRRDPPLLMVM
RMVKAEVKVGSYVVPKGDIIACSPLLSHHDEEAFPNPRLWDPERDEKVDGAFIGFGAGVH
KCIGQKFALLQVKTILATAFREYDFQLLRDEVPDPDYHTMVVGPTLNQCLVKYTRKKKLP
S
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BDBM29346
BDBM10852
NameBDBM29346
Synonyms:Indomethacin-amide derivative, 16
TypeSmall organic molecule
Emp. Form.C24H20ClN3O3
Mol. Mass.433.887
SMILESCOc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3ccccn3)c2c1
Structure
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