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Target
Sterol 14-alpha demethylase
Ligand
BDBM25817
Substrate
n/a
Meas. Tech.
ChEMBL_1762886 (CHEMBL4198133)
IC50
880±n/a nM
Citation
 Ferreira de Almeida Fiuza, L; Peres, RB; Simões-Silva, MR; da Silva, PB; Batista, DDGJ; da Silva, CF; Nefertiti Silva da Gama, A; Krishna Reddy, TR; Soeiro, MNC Identification of Pyrazolo[3,4-e][1,4]thiazepin based CYP51 inhibitors as potential Chagas disease therapeutic alternative: In vitro and in vivo evaluation, binding mode prediction and SAR exploration. Eur J Med Chem 149:257-268 (2018) [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:
BDBM25817
Synonyms:
2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol | CHEMBL106 | Diflucan | Fluconazole | Fluconazole (f) | Fungata | Triflucan | US10221160, Fluconazole | US11247981, Example Fluconazole | US9138393, Fluconazole | US9144538, Fluconazole | US9221791, Fluconazole | US9556143, Fluconazole | cid_3365
Type:
Small organic molecule
Emp. Form.:
C13H12F2N6O
Mol. Mass.:
306.2708
SMILES:
OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
Structure:
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