Reaction Details
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T-cell surface glycoprotein CD4
Ligand
BDBM50093814
Substrate
n/a
Meas. Tech.
ChEMBL_101473 (CHEMBL712351)
EC50
>62000±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:
BDBM50093814
Synonyms:
(S)-2-(5-{1-[3-((S)-1-Carboxy-2-phenyl-ethylcarbamoyl)-5-chloro-4-hydroxy-phenyl]-4-[17-(1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl]-but-1-enyl}-3-chloro-2-hydroxy-benzoylamino)-3-phenyl-propionic acid | 2-(5-{1-[3-(1-Carboxy-2-phenyl-ethylcarbamoyl)-5-chloro-4-hydroxy-phenyl]-4-[17-(1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl]-but-1-enyl}-3-chloro-2-hydroxy-benzoylamino)-3-phenyl-propionic acid | 2-(5-{1-{3-[1-carboxy-2-phenyl-(1S)-ethylcarbamoyl]-5-chloro-4-hydroxyphenyl}-4-[1-(1,5-dimethylhexyl)-9a,11a-dimethylperhydrocyclopenta[a]phenanthren-7-yl]-1-butenyl}-3-chloro-2-hydroxyphenylcarboxamido)-3-phenyl-(2S)-propanoic acid | CHEMBL263151
Type:
Small organic molecule
Emp. Form.:
C63H78Cl2N2O8
Mol. Mass.:
1062.208
SMILES:
[#6]-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6@H]1-[#6]-[#6]-[#6]2-[#6]-3-[#6]-[#6]-[#6]4-[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](/c5cc(Cl)c(-[#8])c(c5)-[#6](=O)-[#7]-[#6@@H](-[#6]-c5ccccc5)-[#6](-[#8])=O)-c5cc(Cl)c(-[#8])c(c5)-[#6](=O)-[#7]-[#6@@H](-[#6]-c5ccccc5)-[#6](-[#8])=O)-[#6]-[#6][C@]4([#6])[#6]-3-[#6]-[#6][C@]12[#6]
Structure:
