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Target
Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM50147212
Substrate
n/a
Meas. Tech.
ChEMBL_1554419 (CHEMBL3767407)
EC50
3300±n/a nM
Citation
 Nair, AG; Zeng, Q; Selyutin, O; Rosenblum, SB; Jiang, Y; Yang, DY; Keertikar, K; Zhou, G; Dwyer, MP; Kim, SH; Shankar, B; Yu, W; Tong, L; Chen, L; Mazzola, R; Caldwell, J; Tang, H; Allard, ML; Buckle, RN; Gauuan, PJ; Holst, CL; Martin, GS; Naicker, KP; Vellekoop, S; Agrawal, S; Liu, R; Kong, R; Ingravallo, P; Xia, E; Zhai, Y; Nomeir, A; Kozlowski, JA Discovery of silyl proline containing HCV NS5A inhibitors with pan-genotype activity: SAR development. Bioorg Med Chem Lett 26:1475-9 (2016) [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:
BDBM50147212
Synonyms:
CHEMBL3765311 | US11053243, Example 192
Type:
Small organic molecule
Emp. Form.:
C42H50N8O7
Mol. Mass.:
778.8958
SMILES:
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1cc2cc(ccc2o1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
Structure:
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