Reaction Details |
| Report a problem with these data |
Target | Sterol 14-alpha demethylase |
---|
Ligand | BDBM213822 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | CYP51 Inhibition Assay |
---|
pH | 7.4±n/a |
---|
Temperature | 310.15±n/a K |
---|
Kd | 32± 2 nM |
---|
Comments | extracted |
---|
Citation | Hargrove, TY; Wawrzak, Z; Alexander, PW; Chaplin, JH; Keenan, M; Charman, SA; Perez, CJ; Waterman, MR; Chatelain, E; Lepesheva, GI Complexes of Trypanosoma cruzi sterol 14a-demethylase (CYP51) with two pyridine-based drug candidates for Chagas disease: structural basis for pathogen selectivity. J Biol Chem288:31602-15 (2013) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
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
|
|
|
BDBM213822 |
---|
n/a |
---|
Name | BDBM213822 |
Synonyms: | EPL-BS0967 (UDD) |
Type | Small organic molecule |
Emp. Form. | C23H20F6N4 |
Mol. Mass. | 466.4221 |
SMILES | FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1cccnc1 |
Structure |
|