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TargetCytochrome P450 11B1, mitochondrial
LigandBDBM25456
Substrate/CompetitorBDBM8582
Meas. Tech.CYP17 Inhibition Assay
IC50 2135±n/a nM
Citation Pinto-Bazurco Mendieta, MANegri, MJagusch, CMüller-Vieira, ULauterbach, THartmann, RW Synthesis, biological evaluation, and molecular modeling of abiraterone analogues: novel CYP17 inhibitors for the treatment of prostate cancer. J Med Chem51:5009-18 (2008) [PubMed]  Article
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Cytochrome P450 11B1, mitochondrial
Name:Cytochrome P450 11B1, mitochondrial
Synonyms:C11B1_HUMAN | CYP11B1 | CYPXIB1 | Cytochrome P450 11B, mitochondrial precursor | Cytochrome P450 11B1 | Cytochrome P450 11B1 (CYP11B1) | Cytochrome P450 11B1, mitochondrial | S11BH
Type:Enzyme
Mol. Mass.:57591.44
Organism:Homo sapiens (Human)
Description:P15538
Residue:503
Sequence:
MALRAKAEVCMAVPWLSLQRAQALGTRAARVPRTVLPFEAMPRRPGNRWLRLLQIWREQG
YEDLHLEVHQTFQELGPIFRYDLGGAGMVCVMLPEDVEKLQQVDSLHPHRMSLEPWVAYR
QHRGHKCGVFLLNGPEWRFNRLRLNPEVLSPNAVQRFLPMVDAVARDFSQALKKKVLQNA
RGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFM
PRSLSRWTSPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFSRPQQYTSIVAELLLNAELS
PDAIKANSMELTAGSVDTTVFPLLMTLFELARNPNVQQALRQESLAAAASISEHPQKATT
ELPLLRAALKETLRLYPVGLFLERVASSDLVLQNYHIPAGTLVRVFLYSLGRNPALFPRP
ERYNPQRWLDIRGSGRNFYHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHLQVETLTQED
IKMVYSFILRPSMFPLLTFRAIN
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  Blast E-value cutoff:
BDBM25456
BDBM8582
NameBDBM25456
Synonyms:4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzene-1,2-diol | Abiraterone mimetic, 19
TypeSmall organic molecule
Emp. Form.C21H19NO2
Mol. Mass.317.3811
SMILESOc1ccc(cc1O)-c1ccc2C(CCCc2c1)c1ccncc1
Structure
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