Reaction Details Report a problem with these data
Target
Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM50443615
Substrate
n/a
Meas. Tech.
ChEMBL_1279400 (CHEMBL3096556)
EC50
5000±n/a nM
Citation
 Shao, PP; Ye, F; Chakravarty, PK; Herrington, JB; Dai, G; Bugianesi, RM; Haedo, RJ; Swensen, AM; Warren, VA; Smith, MM; Garcia, ML; McManus, OB; Lyons, KA; Li, X; Green, M; Jochnowitz, N; McGowan, E; Mistry, S; Sun, SY; Abbadie, C; Kaczorowski, GJ; Duffy, JL Improved Cav2.2 Channel Inhibitors through a gem-Dimethylsulfone Bioisostere Replacement of a Labile Sulfonamide. ACS Med Chem Lett 4:1064-8 (2013) [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:
BDBM50443615
Synonyms:
CHEMBL3092199
Type:
Small organic molecule
Emp. Form.:
C24H24F3N3O5S2
Mol. Mass.:
555.59
SMILES:
CS(=O)(=O)c1ccc(cc1C(=O)N1CCC(CC1)N(C1CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F)C#N
Structure:
Search PDB for entries with ligand similarity: