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Target
Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM327532
Substrate
n/a
Meas. Tech.
ChEMBL_1748344 (CHEMBL4182854)
EC50
2000±n/a nM
Citation
 Gong, H; Weinstein, DS; Lu, Z; Duan, JJ; Stachura, S; Haque, L; Karmakar, A; Hemagiri, H; Raut, DK; Gupta, AK; Khan, J; Camac, D; Sack, JS; Pudzianowski, A; Wu, DR; Yarde, M; Shen, DR; Borowski, V; Xie, JH; Sun, H; D'Arienzo, C; Dabros, M; Galella, MA; Wang, F; Weigelt, CA; Zhao, Q; Foster, W; Somerville, JE; Salter-Cid, LM; Barrish, JC; Carter, PH; Dhar, TGM Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR?/RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity. Bioorg Med Chem Lett 28:85-93 (2018) [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:
BDBM327532
Synonyms:
(�) 2-(1-((4-fluorophenyl)sulfonyl)-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2,3,4-tetrahydroquinolin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide | US9663469, 71
Type:
Small organic molecule
Emp. Form.:
C24H25F7N2O5S
Mol. Mass.:
586.52
SMILES:
CC(C)(O)CNC(=O)CC1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Structure:
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