Reaction Details 
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Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM50204071
Substrate
n/a
Meas. Tech.
ChEMBL_1626059 (CHEMBL3868528)
EC50
3000±n/a nM
Citation
Kick, EK; Busch, BB; Martin, R; Stevens, WC; Bollu, V; Xie, Y; Boren, BC; Nyman, MC; Nanao, MH; Nguyen, L; Plonowski, A; Schulman, IG; Yan, G; Zhang, H; Hou, X; Valente, MN; Narayanan, R; Behnia, K; Rodrigues, AD; Brock, B; Smalley, J; Cantor, GH; Lupisella, J; Sleph, P; Grimm, D; Ostrowski, J; Wexler, RR; Kirchgessner, T; Mohan, R Discovery of Highly Potent Liver X Receptorß Agonists. ACS Med Chem Lett 7:1207-1212 (2016) [PubMed] ArticleMore Info.:
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:
BDBM50204071
Synonyms:
CHEMBL3953927
Type:
Small organic molecule
Emp. Form.:
C29H29ClF2N2O4S
Mol. Mass.:
575.066
SMILES:
CC(C)(O)c1cn(c(n1)C(C)(C)c1cccc(F)c1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O
Structure:
