Reaction Details Report a problem with these data
Target
Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM21671
Substrate
BDBM21662
Meas. Tech.
Competition Ligand Binding Assay and Transient Transfection Assay
pH
8±n/a
Temperature
295.15±n/a K
IC50
63±n/a nM
EC50
16±n/a nM
Citation
Xue, Y; Chao, E; Zuercher, WJ; Willson, TM; Collins, JL; Redinbo, MR Crystal structure of the PXR-T1317 complex provides a scaffold to examine the potential for receptor antagonism. Bioorg Med Chem 15:2156-66 (2007) [PubMed] Article
More 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:
BDBM21671
Synonyms:
N-[4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide | T0901317 analogue, 10
Type:
Small organic molecule
Emp. Form.:
C22H17F6NO3S
Mol. Mass.:
489.431
SMILES:
OC(c1ccccc1)(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)C(F)(F)F