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Target
Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM341891
Substrate
n/a
Meas. Tech.
ChEMBL_1839556 (CHEMBL4339771)
EC50
48±n/a nM
Citation
 Duan, JJ; Lu, Z; Jiang, B; Stachura, S; Weigelt, CA; Sack, JS; Khan, J; Ruzanov, M; Galella, MA; Wu, DR; Yarde, M; Shen, DR; Shuster, DJ; Borowski, V; Xie, JH; Zhang, L; Vanteru, S; Gupta, AK; Mathur, A; Zhao, Q; Foster, W; Salter-Cid, LM; Carter, PH; Dhar, TGM Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR?t Inverse Agonists. ACS Med Chem Lett 10:367-373 (2019) [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:
BDBM341891
Synonyms:
US9771320, Example 125
Type:
Small organic molecule
Emp. Form.:
C21H22F4O3S
Mol. Mass.:
430.456
SMILES:
CCC(O)(c1ccc(cc1)C1(CCCC1)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F
Structure:
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