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Target
Cytochrome P450 11B2, mitochondrial
Ligand
BDBM50206214
Substrate
n/a
Meas. Tech.
ChEMBL_1628625 (CHEMBL3871210)
IC50
13±n/a nM
Citation
 Petrilli, WL; Hoyt, SB; London, C; McMasters, D; Verras, A; Struthers, M; Cully, D; Wisniewski, T; Ren, N; Bopp, C; Sok, A; Chen, Q; Li, Y; Tung, E; Tang, W; Salituro, G; Knemeyer, I; Karanam, B; Clemas, J; Zhou, G; Gibson, J; Shipley, CA; MacNeil, DJ; Duffy, R; Tata, JR; Ujjainwalla, F; Ali, A; Xiong, Y Discovery of Spirocyclic Aldosterone Synthase Inhibitors as Potential Treatments for Resistant Hypertension. ACS Med Chem Lett 8:128-132 (2017) [PubMed]  Article
Target
Name:
Cytochrome P450 11B2, mitochondrial
Synonyms:
Aldosterone Synthase (CYP11B2) | Aldosterone synthase | Aldosterone-synthesizing enzyme | C11B2_HUMAN | CYP11B2 | CYPXIB2 | Cytochrome P450 11B2 | Cytochrome P450 11B2 (CYP11B2) | Cytochrome P450 11B2, mitochondrial | P-450Aldo | P-450C18 | Steroid 18-hydroxylase
Type:
Protein
Mol. Mass.:
57582.15
Organism:
Homo sapiens (Human)
Description:
P19099
Residue:
503
Sequence:
MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELSLEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRPERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQEDIKMVYSFILRPGTSPLLTFRAIN
  
Inhibitor
Name:
BDBM50206214
Synonyms:
CHEMBL3973937
Type:
Small organic molecule
Emp. Form.:
C16H21F3N2O2
Mol. Mass.:
330.3453
SMILES:
C[C@](O)(c1cncc(c1)N1CCC2(CCOC2)CC1)C(F)(F)F |r|
Structure:
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