Reaction Details
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T-cell surface glycoprotein CD4
Ligand
BDBM50097415
Substrate
n/a
Meas. Tech.
ChEMBL_101473 (CHEMBL712351)
EC50
19900±n/a nM
Citation
Santhosh, KC; Paul, GC; De Clercq, E; Pannecouque, C; Witvrouw, M; Loftus, TL; Turpin, JA; Buckheit, RW; Cushman, M Correlation of anti-HIV activity with anion spacing in a series of cosalane analogues with extended polycarboxylate pharmacophores. J Med Chem 44:703-14 (2001) [PubMed] Article More Info.:
Target
Name:
T-cell surface glycoprotein CD4
Synonyms:
CD4 | CD4_HUMAN | CD_antigen=CD4 | T-cell surface antigen CD4 | T-cell surface antigen T4/Leu-3 | T-cell surface glycoprotein CD4
Type:
PROTEIN
Mol. Mass.:
51136.66
Organism:
Homo sapiens (Human)
Description:
ChEMBL_440402
Residue:
458
Sequence:
MNRGVPFRHLLLVLQLALLPAATQGKKVVLGKKGDTVELTCTASQKKSIQFHWKNSNQIKILGNQGSFLTKGPSKLNDRADSRRSLWDQGNFPLIIKNLKIEDSDTYICEVEDQKEEVQLLVFGLTANSDTHLLQGQSLTLTLESPPGSSPSVQCRSPRGKNIQGGKTLSVSQLELQDSGTWTCTVLQNQKKVEFKIDIVVLAFQKASSIVYKKEGEQVEFSFPLAFTVEKLTGSGELWWQAERASSSKSWITFDLKNKEVSVKRVTQDPKLQMGKKLPLHLTLPQALPQYAGSGNLTLALEAKTGKLHQEVNLVVMRATQLQKNLTCEVWGPTSPKLMLSLKLENKEAKVSKREKAVWVLNPEAGMWQCLLSDSGQVLLESNIKVLPTWSTPVQPMALIVLGGVAGLLLFIGLGIFFCVRCRHRRRQAERMSQIKRLLSEKKTCQCPHRFQKTCSPI
Inhibitor
Name:
BDBM50097415
Synonyms:
CHEMBL216469 | Cosalane analogue
Type:
Small organic molecule
Emp. Form.:
C65H80Cl2O12
Mol. Mass.:
1124.23
SMILES:
[#6]-[#8]-c1c(Cl)cc(-[#6]-c2cc(cc(-[#6](-[#8])=O)c2-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#6@H]-2-[#6]-[#6][C@@]3([#6])[#6](-[#6]-[#6]-[#6]-4-[#6]5-[#6]-[#6]-[#6@H](-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6])[C@@]5([#6])[#6]-[#6]-[#6]3-4)-[#6]-2)\c2cc(-[#6]-c3cc(Cl)c(-[#8]-[#6])c(c3)-[#6](-[#8])=O)c(-[#8]-[#6])c(c2)-[#6](-[#8])=O)cc1-[#6](-[#8])=O
Structure:
