Reaction Details |
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Target | Cytochrome P450 11B2, mitochondrial |
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Ligand | BDBM50444549 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_1667113 |
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IC50 | 0.200000±n/a nM |
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Citation | Emmerich, J; van Koppen, CJ; Burkhart, JL; Hu, Q; Siebenbürger, L; Boerger, C; Scheuer, C; Laschke, MW; Menger, MD; Hartmann, RW Lead Optimization Generates CYP11B1 Inhibitors of Pyridylmethyl Isoxazole Type with Improved Pharmacological Profile for the Treatment of Cushing's Disease. J Med Chem60:5086-5098 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 11B2, mitochondrial |
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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: | MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQG
YEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYR
QHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNA
RGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFM
PRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELS
LEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATT
ELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRP
ERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQED
IKMVYSFILRPGTSPLLTFRAIN
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BDBM50444549 |
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n/a |
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Name | BDBM50444549 |
Synonyms: | CHEMBL3099695 |
Type | Small organic molecule |
Emp. Form. | C13H10FN3 |
Mol. Mass. | 227.237 |
SMILES | Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r| |
Structure |
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