Target
Integrase
Ligand
BDBM50021282
Substrate
n/a
Meas. Tech.
ChEMBL_1366289 (CHEMBL3297622)
Kd
17±n/a nM
Citation
 Fader, LDCarson, RMorin, SBilodeau, FChabot, CHalmos, TBailey, MDKawai, SHCoulombe, RLaplante, SMekhssian, KJakalian, AGarneau, MDuan, JMason, SWSimoneau, BFenwick, CTsantrizos, YYoakim, C Minimizing the Contribution of Enterohepatic Recirculation to Clearance in Rat for the NCINI Class of Inhibitors of HIV. ACS Med Chem Lett 5:711-6 (2014) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
Human immunodeficiency virus type 1 integrase
Type:
PROTEIN
Mol. Mass.:
32231.48
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_90865
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50021282
Synonyms:
CHEMBL3287916
Type:
Small organic molecule
Emp. Form.:
C29H32ClNO4
Mol. Mass.:
494.022
SMILES:
Cc1cc(ccc1Cl)-c1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(c1C)-c1ccc2OCCCc2c1 |r|
Structure:
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