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Target
Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM50553599
Substrate
n/a
Meas. Tech.
ChEMBL_2047017 (CHEMBL4701716)
EC50
1010±n/a nM
Citation
 Sivaprakasam, P; Wang, Z; Meanwell, NA; Khan, JA; Langley, DR; Johnson, SR; Li, G; Pendri, A; Connolly, TP; Gao, M; Camac, DM; Klakouski, C; Zvyaga, T; Cianci, C; McAuliffe, B; Ding, B; Discotto, L; Krystal, MR; Jenkins, S; Peese, KM; Narasimhulu Naidu, B Structure-based amelioration of PXR transactivation in a novel series of macrocyclic allosteric inhibitors of HIV-1 integrase. 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:
BDBM50553599
Synonyms:
CHEMBL4753283
Type:
Small organic molecule
Emp. Form.:
C41H52FN3O6
Mol. Mass.:
701.8665
SMILES:
C[C@H]1CCCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)c(c3nc(cn23)-c2cccc(c2)-c2cc(F)ccc2O1)C(C)(C)O |r|
Structure:
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