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Target
Sterol 14-alpha demethylase
Ligand
BDBM29343
Substrate
BDBM10852
Meas. Tech.
Spectral Titration of TCCYP51
pH
7.4±n/a
Temperature
297.15±n/a K
Kd
7600±900 nM
Citation
 Konkle, ME; Hargrove, TY; Kleshchenko, YY; von Kries, JP; Ridenour, W; Uddin, MJ; Caprioli, RM; Marnett, LJ; Nes, WD; Villalta, F; Waterman, MR; Lepesheva, GI Indomethacin amides as a novel molecular scaffold for targeting Trypanosoma cruzi sterol 14alpha-demethylase. J Med Chem 52:2846-53 (2009) [PubMed]  Article 
Target
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:
MFIEAIVLALTALILYSVYSVKSFNTTRPTDPPVYPVTVPFLGHIVQFGKNPLEFMQRCKRDLKSGVFTISIGGQRVTIVGDPHEHSRFFSPRNEILSPREVYTIMTPVFGEGVAYAAPYPRMREQLNFLAEELTIAKFQNFVPAIQHEVRKFMAENWKEDEGVINLLEDCGAMIINTACQCLFGEDLRKRLNARHFAQLLSKMESSLIPAAVFMPWLLRLPLPQSARCREARAELQKILGEIIVAREKEEASKDNNTSDLLGGLLKAVYRDGTRMSLHEVCGMIVAAMFAGQHTSTITTSWSMLHLMHPKNKKWLDKLHKEIDEFPAQLNYDNVMDEMPFAERCVRESIRRDPPLLMVMRMVKAEVKVGSYVVPKGDIIACSPLLSHHDEEAFPNPRLWDPERDEKVDGAFIGFGAGVHKCIGQKFALLQVKTILATAFREYDFQLLRDEVPDPDYHTMVVGPTLNQCLVKYTRKKKLPS
  
Inhibitor
Name:
BDBM29343
Synonyms:
Indomethacin-amide derivative, 13
Type:
Small organic molecule
Emp. Form.:
C25H22ClN3O3
Mol. Mass.:
447.913
SMILES:
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3cccnc3C)c2c1
Structure:
Search PDB for entries with ligand similarity:
Substrate