Reaction Details |
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Target | T-cell surface glycoprotein CD4 |
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Ligand | BDBM50093808 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_101473 (CHEMBL712351) |
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EC50 | >125000±n/a nM |
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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 Chem44:703-14 (2001) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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T-cell surface glycoprotein CD4 |
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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: | MNRGVPFRHLLLVLQLALLPAATQGKKVVLGKKGDTVELTCTASQKKSIQFHWKNSNQIK
ILGNQGSFLTKGPSKLNDRADSRRSLWDQGNFPLIIKNLKIEDSDTYICEVEDQKEEVQL
LVFGLTANSDTHLLQGQSLTLTLESPPGSSPSVQCRSPRGKNIQGGKTLSVSQLELQDSG
TWTCTVLQNQKKVEFKIDIVVLAFQKASSIVYKKEGEQVEFSFPLAFTVEKLTGSGELWW
QAERASSSKSWITFDLKNKEVSVKRVTQDPKLQMGKKLPLHLTLPQALPQYAGSGNLTLA
LEAKTGKLHQEVNLVVMRATQLQKNLTCEVWGPTSPKLMLSLKLENKEAKVSKREKAVWV
LNPEAGMWQCLLSDSGQVLLESNIKVLPTWSTPVQPMALIVLGGVAGLLLFIGLGIFFCV
RCRHRRRQAERMSQIKRLLSEKKTCQCPHRFQKTCSPI
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BDBM50093808 |
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n/a |
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Name | BDBM50093808 |
Synonyms: | (5-{1-[3-(Carboxymethyl-carbamoyl)-5-chloro-4-hydroxy-phenyl]-4-[(3S,10S,13R,17R)-17-(1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl]-but-1-enyl}-3-chloro-2-hydroxy-benzoylamino)-acetic acid | (5-{1-[3-(Carboxymethyl-carbamoyl)-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)-acetic acid | 5-{1-[3-carboxylato-4-(3-carboxy-2-methoxybenzyloxy)-5-chlorophenyl]-4-[1-(1,5-dimethylhexyl)-9a,11a-dimethylperhydrocyclopenta[a]phenanthren-7-yl]-1-butenyl}-2-(3-carboxy-2-methoxybenzyloxy)-3-chlorobenzoate | CHEMBL83315 |
Type | Small organic molecule |
Emp. Form. | C49H66Cl2N2O8 |
Mol. Mass. | 881.963 |
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]-[#6](-[#8])=O)-c5cc(Cl)c(-[#8])c(c5)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O)-[#6]-[#6][C@]4([#6])[#6]-3-[#6]-[#6][C@]12[#6] |
Structure |
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