Reaction Details Report a problem with these data
Target
Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM50103627
Substrate
n/a
Meas. Tech.
ChEMBL_1487568 (CHEMBL3531874)
EC50
10.0±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:
BDBM50103627
Synonyms:
CHEBI:31550 | GNF-Pf-193 | Patupilone
Type:
Small organic molecule
Emp. Form.:
C27H41NO6S
Mol. Mass.:
507.683
SMILES:
[H][C@]12C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@@]1(C)O2)C(\C)=C\c1csc(C)n1 |r|
Structure:
Search PDB for entries with ligand similarity: