Reaction Details |
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Target | Steroid 21-hydroxylase |
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Ligand | BDBM50203341 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1625605 (CHEMBL3868074) |
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IC50 | 148±n/a nM |
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Citation | Blass, BE; Iyer, P; Abou-Gharbia, M; Childers, WE; Gordon, JC; Ramanjulu, M; Morton, G; Arumugam, P; Boruwa, J; Ellingboe, J; Mitra, S; Nimmareddy, RR; Paliwal, S; Rajasekhar, J; Shivakumar, S; Srivastava, P; Tangirala, RS; Venkataramanaiah, K; Yanamandra, M Design, synthesis, and evaluation of (2S,4R)-Ketoconazole sulfonamide analogs as potential treatments for Metabolic Syndrome. Bioorg Med Chem Lett26:5825-5829 (2016) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Steroid 21-hydroxylase |
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Name: | Steroid 21-hydroxylase |
Synonyms: | CP21A_HUMAN | CYP21 | CYP21A2 | CYP21B | Cytochrome P450 21 | Cytochrome P450 21A2 |
Type: | PROTEIN |
Mol. Mass.: | 55896.25 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_1498865 |
Residue: | 494 |
Sequence: | MLLLGLLLLPLLAGARLLWNWWKLRSLHLPPLAPGFLHLLQPDLPIYLLGLTQKFGPIYR
LHLGLQDVVVLNSKRTIEEAMVKKWADFAGRPEPLTYKLVSKNYPDLSLGDYSLLWKAHK
KLTRSALLLGIRDSMEPVVEQLTQEFCERMRAQPGTPVAIEEEFSLLTCSIICYLTFGDK
IKDDNLMPAYYKCIQEVLKTWSHWSIQIVDVIPFLRFFPNPGLRRLKQAIEKRDHIVEMQ
LRQHKESLVAGQWRDMMDYMLQGVAQPSMEEGSGQLLEGHVHMAAVDLLIGGTETTANTL
SWAVVFLLHHPEIQQRLQEELDHELGPGASSSRVPYKDRARLPLLNATIAEVLRLRPVVP
LALPHRTTRPSSISGYDIPEGTVIIPNLQGAHLDETVWERPHEFWPDRFLEPGKNSRALA
FGCGARVCLGEPLARLELFVVLTRLLQAFTLLPSGDALPSLQPLPHCSVILKMQPFQVRL
QPRGMGAHSPGQNQ
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BDBM50203341 |
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n/a |
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Name | BDBM50203341 |
Synonyms: | CHEMBL3960724 |
Type | Small organic molecule |
Emp. Form. | C28H28Cl2N4O5S2 |
Mol. Mass. | 635.582 |
SMILES | Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)c2cccs2)O1 |r| |
Structure |
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