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Target
Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM50122650
Substrate
n/a
Meas. Tech.
ChEMBL_1519890 (CHEMBL3624813)
EC50
>50000±n/a nM
Citation
 Balog, A; Rampulla, R; Martin, GS; Krystek, SR; Attar, R; Dell-John, J; DiMarco, JD; Fairfax, D; Gougoutas, J; Holst, CL; Nation, A; Rizzo, C; Rossiter, LM; Schweizer, L; Shan, W; Spergel, S; Spires, T; Cornelius, G; Gottardis, M; Trainor, G; Vite, GD; Salvati, ME Discovery of BMS-641988, a Novel Androgen Receptor Antagonist for the Treatment of Prostate Cancer. ACS Med Chem Lett 6:908-12 (2015) [PubMed]  Article
Target
Name:
Nuclear receptor subfamily 1 group I member 2
Synonyms:
NR1I2 | NR1I2_HUMAN | Orphan nuclear receptor PAR1 | Orphan nuclear receptor PXR | PXR | Pregnane X receptor | SXR | Steroid and xenobiotic receptor | nuclear receptor subfamily 1 group I member 2 isoform 1
Type:
Nuclear receptor
Mol. Mass.:
49774.77
Organism:
Homo sapiens (Human)
Description:
O75469
Residue:
434
Sequence:
MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATGYHFNVMTCEGCKGFFRRAMKRNARLRCPFRKGACEITRKTRRQCQACRLRKCLESGMKKEMIMSDEAVEERRALIKRKKSERTGTQPLGVQGLTEEQRMMIRELMDAQMKTFDTTFSHFKNFRLPGVLSSGCELPESLQAPSREEAAKWSQVRKDLCSLKVSLQLRGEDGSVWNYKPPADSGGKEIFSLLPHMADMSTYMFKGIISFAKVISYFRDLPIEDQISLLKGAAFELCQLRFNTVFNAETGTWECGRLSYCLEDTAGGFQQLLLEPMLKFHYMLKKLQLHEEEYVLMQAISLFSPDRPGVLQHRVVDQLQEQFAITLKSYIECNRPQPAHRFLFLKIMAMLTELRSINAQHTQRLLRIQDIHPFATPLMQELFGITGS
  
Inhibitor
Name:
BDBM50122650
Synonyms:
CHEMBL3623127
Type:
Small organic molecule
Emp. Form.:
C20H20F3N3O5S
Mol. Mass.:
471.45
SMILES:
[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)CC)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
Structure:
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