Reaction Details
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Envelope glycoprotein gp160
Ligand
BDBM95263
Substrate
n/a
IC50
17225±n/a nM
Citation
PubChem, PC Counterscreen for discovery of small molecules that bind to the HIV-1-gp120 binding antibody, PG9 PubChem Bioassay (2012)[AID] More Info.:
Target
Name:
Envelope glycoprotein gp160
Synonyms:
ENV_HV1H2 | Envelope polyprotein GP160 | Envelope surface glycoprotein gp160, precursor | HIV-1 B HXB2-LAI-IIIB-BRU | env
Type:
n/a
Mol. Mass.:
97241.93
Organism:
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)
Description:
n/a
Residue:
856
Sequence:
MRVKEKYQHLWRWGWRWGTMLLGMLMICSATEKLWVTVYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEVVLVNVTENFNMWKNDMVEQMHEDIISLWDQSLKPCVKLTPLCVSLKCTDLKNDTNTNSSSGRMIMEKGEIKNCSFNISTSIRGKVQKEYAFFYKLDIIPIDNDTTSYKLTSCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGTGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEEVVIRSVNFTDNAKTIIVQLNTSVEINCTRPNNNTRKRIRIQRGPGRAFVTIGKIGNMRQAHCNISRAKWNNTLKQIASKLREQFGNNKTIIFKQSSGGDPEIVTHSFNCGGEFFYCNSTQLFNSTWFNSTWSTEGSNNTEGSDTITLPCRIKQIINMWQKVGKAMYAPPISGQIRCSSNITGLLLTRDGGNSNNESEIFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTKAKRRVVQREKRAVGIGALFLGFLGAAGSTMGAASMTLTVQARQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILAVERYLKDQQLLGIWGCSGKLICTTAVPWNASWSNKSLEQIWNHTTWMEWDREINNYTSLIHSLIEESQNQQEKNEQELLELDKWASLWNWFNITNWLWYIKLFIMIVGGLVGLRIVFAVLSIVNRVRQGYSPLSFQTHLPTPRGPDRPEGIEEEGGERDRDRSIRLVNGSLALIWDDLRSLCLFSYHRLRDLLLIVTRIVELLGRRGWEALKYWWNLLQYWSQELKNSAVSLLNATAIAVAEGTDRVIEVVQGACRAIRHIPRRIRQGLERILL
Inhibitor
Name:
BDBM95263
Synonyms:
2-(5,6-Dimethyl-2-propyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-acetamide | 2-(5,6-dimethyl-2-propyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanamide | 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide | 2-[(5,6-dimethyl-2-propyl-4-thieno[2,3-d]pyrimidinyl)thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide | 2-[(5,6-dimethyl-2-propyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide | MLS000552930 | SMR000173037 | cid_3197528
Type:
Small organic molecule
Emp. Form.:
C17H21N5OS3
Mol. Mass.:
407.577
SMILES:
CCCc1nc(SCC(=O)Nc2nnc(CC)s2)c2c(C)c(C)sc2n1
Structure:
