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Target
Envelope glycoprotein gp160
Ligand
BDBM50333241
Substrate
n/a
Meas. Tech.
ChEMBL_2220590 (CHEMBL5133924)
IC50
270±n/a nM
Citation
 Tsuji, K; Kobayakawa, T; Konno, K; Masuda, A; Takahashi, K; Ohashi, N; Yoshimura, K; Kuwata, T; Matsushita, S; Harada, S; Tamamura, H Exploratory studies on soluble small molecule CD4 mimics as HIV entry inhibitors. Bioorg Med Chem 56:0 (2022) [PubMed] 
Target
Name:
Envelope glycoprotein gp160
Synonyms:
envelope glycoprotein
Type:
Enzyme Catalytic Domain
Mol. Mass.:
91798.58
Organism:
Human immunodeficiency virus 1
Description:
gi_45357394
Residue:
814
Sequence:
MRVKGIRRNYQHLWRWGTMLLGMLMICSAKEQLWVTAYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPREVVMGNVTEEFNIWNNSMVEQMHEDIISLWDESLKPCVKLTPLCVTFNCTNYNGTRNGTTTEPPEVKNCTTKETGIKNCSFNIATSGVEDRFKKEYALLYTADIVQIDNSSINYTLIGCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGKGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEVVIRSDNFSDNAKTIIVQLKDPVVINCTRPNNNTRKGIRIGPGRTFYTTERIIGDIRQAHCNISRTQWNNTLRLIAAKLKKQFNNKTIIFRNSSGGDPEIVMHSFNCGGEFFYCNTTQLFNSTWVHNNTWVHNNTGNDTEEGTITLPCRIKQIINMWQEVGKAMYAPPIKGQIRCSSNITGLILTRDGGNTSSNNETFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTKARRRVVQREKRAVGMLGAMFLGFLGAAGSTMGAASLALTVQARQVVSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARVLAVERYLGDQQLLGIWGCSGKLICTTAVPWNDSWSNKSLKYIWDNMTWMQWEKEIDIHVDTIYQLLEASQYQQEKNEKDLLELDKWESLWNWFDITNWLWYIKIFIMIVGGLIGLRIVFTVLSIVNRVRQGYSPLSLQTRLPTQRGPDRPEGIEEEGGERQRHIRSISEWILNNYPGRPAEPVPLQLPPLERLTLDCNEDCGTSGTQGVGSPQVFVESPPVLESGTKEECC
  
Inhibitor
Name:
BDBM50333241
Synonyms:
CHEMBL254781 | N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)-oxalamide | N1-(4-chlorophenyl)-N2-(2,2,6,6-tetramethylpiperidin-4-yl)oxalamide
Type:
Small organic molecule
Emp. Form.:
C17H24ClN3O2
Mol. Mass.:
337.844
SMILES:
CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(Cl)cc1
Structure:
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