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Target
Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM50591456
Substrate
n/a
Meas. Tech.
ChEMBL_2200578 (CHEMBL5113094)
IC50
>50000±n/a nM
Citation
 Orsi, DL; Pook, E; Bräuer, N; Friberg, A; Lienau, P; Lemke, CT; Stellfeld, T; Brüggemeier, U; Pütter, V; Meyer, H; Baco, M; Tang, S; Cherniack, AD; Westlake, L; Bender, SA; Kocak, M; Strathdee, CA; Meyerson, M; Eis, K; Goldstein, JT Discovery and Structure-Based Design of Potent Covalent PPAR? Inverse-Agonists  J Med Chem 65:14843-14863 (2022) [PubMed] 
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:
BDBM50591456
Synonyms:
CHEMBL5207130
Type:
Small organic molecule
Emp. Form.:
C22H16ClN3O4
Mol. Mass.:
421.833
SMILES:
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Structure:
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