Reaction Details Report a problem with these data
Target
Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM510690
Substrate
n/a
Meas. Tech.
ChEMBL_2071806 (CHEMBL4727340)
EC50
60±n/a nM
Citation
 Jiang, B; Duan, JJ; Stachura, S; Karmakar, A; Hemagiri, H; Raut, DK; Gupta, AK; Weigelt, CA; Khan, J; Sack, JS; Wu, DR; Yarde, M; Shen, DR; Galella, MA; Mathur, A; Zhao, Q; Salter-Cid, LM; Carter, PH; Dhar, TGM Discovery of (3S,4S)-3-methyl-3-(4-fluorophenyl)-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxyprop-2-yl)phenyl)pyrrolidines as novel ROR?t inverse agonists. Bioorg Med Chem Lett 30:0 (2020) [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:
BDBM510690
Synonyms:
US11078186, Example 144
Type:
Small organic molecule
Emp. Form.:
C28H26F6N2O2
Mol. Mass.:
536.5087
SMILES:
C[C@]1(CN(C[C@@H]1c1ccccc1)C(=O)NCc1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: