Reaction Details |
| Report a problem with these data |
Target | Sterol 14-alpha demethylase cyp51A |
---|
Ligand | BDBM50127138 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_724287 (CHEMBL1677680) |
---|
Kd | 1010±n/a nM |
---|
Citation | Warrilow, AG; Melo, N; Martel, CM; Parker, JE; Nes, WD; Kelly, SL; Kelly, DE Expression, purification, and characterization of Aspergillus fumigatus sterol 14-alpha demethylase (CYP51) isoenzymes A and B. Antimicrob Agents Chemother54:4225-34 (2010) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Sterol 14-alpha demethylase cyp51A |
---|
Name: | Sterol 14-alpha demethylase cyp51A |
Synonyms: | 14-alpha sterol demethylase Cyp51A |
Type: | PROTEIN |
Mol. Mass.: | 58079.92 |
Organism: | Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSCA1100) (Aspergillus fumigatus) |
Description: | ChEMBL_724287 |
Residue: | 515 |
Sequence: | MVPMLWLTAYMAVAVLTAILLNVVYQLFFRLWNRTEPPMVFHWVPYLGSTISYGIDPYKF
FFACREKYGDIFTFILLGQKTTVYLGVQGNEFILNGKLKDVNAEEVYSPLTTPVFGSDVV
YDCPNSKLMEQKKFIKYGLTQSALESHVPLIEKEVLDYLRDSPNFQGSSGRVDISAAMAE
ITIFTAARALQGQEVRSKLTAEFADLYHDLDKGFTPINFMLPWAPLPHNKKRDAAHARMR
SIYVDIITQRRLDGEKDSQKSDMIWNLMNCTYKNGQQVPDKEIAHMMITLLMAGQHSSSS
ISAWIMLRLASQPKVLEELYQEQLANLGPAGPDGSLPPLQYKDLDKLPFHQHVIRETLRI
HSSIHSIMRKVKSPLPVPGTPYMIPPGRVLLASPGVTALSDEHFPNAGCWDPHRWENQAT
KEQENDKVVDYGYGAVSKGTSSPYLPFGAGRHRCIGEKFAYVNLGVILATIVRHLRLFNV
DGKKGVPETDYSSLFSGPMKPSIIGWEKRSKNTSK
|
|
|
BDBM50127138 |
---|
n/a |
---|
Name | BDBM50127138 |
Synonyms: | 2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one | CHEMBL22587 | ITRACONAZOLE | Itrizole (TN) | Oriconazole | Sporanox (TN) |
Type | Small organic molecule |
Emp. Form. | C35H38Cl2N8O4 |
Mol. Mass. | 705.633 |
SMILES | CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r| |
Structure |
|