Reaction Details Report a problem with these data
Target
Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM50103617
Substrate
n/a
Meas. Tech.
ChEMBL_1487568 (CHEMBL3531874)
EC50
320±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:
BDBM50103617
Synonyms:
CHEMBL451483
Type:
Small organic molecule
Emp. Form.:
C52H76O24
Mol. Mass.:
1085.1454
SMILES:
[H][C@@]1(C[C@@H](O)[C@H](O)[C@@H](C)O1)O[C@@H]1C[C@H](Oc2cc3cc4C[C@@]([H])([C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)[C@]([H])(O[C@H]5C[C@@H](O[C@@]6([H])C[C@@H](O[C@@]7([H])C[C@](C)(O)[C@H](O)[C@@H](C)O7)[C@H](O)[C@@H](C)O6)[C@H](O)[C@@H](C)O5)C(=O)c4c(O)c3c(O)c2C)O[C@H](C)[C@H]1O |r|
Structure:
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