| Reaction Details |
|---|
 | Report a problem with these data |
| Target | T-cell surface glycoprotein CD4 |
|---|
| Ligand | BDBM50093814 |
|---|
| Substrate/Competitor | 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 Chem44:703-14 (2001) [PubMed] |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| T-cell surface glycoprotein CD4 |
|---|
| 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
|
|
|
|---|
| BDBM50093814 |
|---|
| n/a |
|---|
| 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 | 
|
|---|
Search and Browse
