Reaction Details Report a problem with these data
Target
Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM50009073
Substrate
n/a
Meas. Tech.
ChEMBL_1487568 (CHEMBL3531874)
EC50
58400±n/a nM
Citation
 Shukla, SJ; Sakamuru, S; Huang, R; Moeller, TA; Shinn, P; Vanleer, D; Auld, DS; Austin, CP; Xia, M Identification of clinically used drugs that activate pregnane X receptors. Drug Metab Dispos 39:151-9 (2010) [PubMed]  Article 
Target
Name:
Nuclear receptor subfamily 1 group I member 2
Synonyms:
NR1I2_RAT | Nr1i2 | Nuclear receptor subfamily 1 group I member 2 | Orphan nuclear receptor PXR | Pregnane X receptor | Pxr
Type:
PROTEIN
Mol. Mass.:
49664.53
Organism:
Rattus norvegicus
Description:
ChEMBL_105143
Residue:
431
Sequence:
MRPEERWNHVGLVQREEADSVLEEPINVDEEDGGLQICRVCGDKANGYHFNVMTCEGCKGFFRRAMKRNVRLRCPFRKGTCEITRKTRRQCQACRLRKCLESGMKKEMIMSDAAVEQRRALIKRKKREKIEAPPPGGQGLTEEQQALIQELMDAQMQTFDTTFSHFKDFRLPAVFHSDCELPEVLQASLLEDPATWSQIMKDSVPMKISVQLRGEDGSIWNYQPPSKSDGKEIIPLLPHLADVSTYMFKGVINFAKVISHFRELPIEDQISLLKGATFEMCILRFNTMFDTETGTWECGRLAYCFEDPNGGFQKLLLDPLMKFHCMLKKLQLREEEYVLMQAISLFSPDRPGVVQRSVVDQLQERFALTLKAYIECSRPYPAHRFLFLKIMAVLTELRSINAQQTQQLLRIQDTHPFATPLMQELFSSTDG
  
Inhibitor
Name:
BDBM50009073
Synonyms:
4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide | CHEMBL603 | ZAFIRLUKAST | cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate | cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate
Type:
Small organic molecule
Emp. Form.:
C31H33N3O6S
Mol. Mass.:
575.675
SMILES:
COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Structure:
Search PDB for entries with ligand similarity: