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Target
Integrase
Ligand
BDBM50330326
Substrate
n/a
Meas. Tech.
ChEMBL_2228812 (CHEMBL5142325)
IC50
2.5±n/a nM
Citation
Ju, H; Hou, L; Zhao, F; Zhang, Y; Jia, R; Guizzo, L; Bonomini, A; Zhang, J; Gao, Z; Liang, R; Bertagnin, C; Kong, X; Ma, X; Kang, D; Loregian, A; Huang, B; Liu, X; Zhan, P Iterative Optimization and Structure-Activity Relationship Studies of Oseltamivir Amino Derivatives as Potent and Selective Neuraminidase Inhibitors J Med Chem 65:11550-11573 (2022) [PubMed]
More Info.:
Target
Name:
Integrase
Synonyms:
Human immunodeficiency virus type 1 integrase
Type:
PROTEIN
Mol. Mass.:
32231.48
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_90865
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
Inhibitor
Name:
BDBM50330326
Synonyms:
(4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid | (4S,5R,6R)-5-Acetylamino-4-guanidino-6-((R)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid | (4S,5R,6R)-5-Acetylamino-4-guanidino-6-(1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid | (4S,5R,6R)-5-acetamido-4-(diaminomethyleneamino)-6-((1R,2R)-1,2,3-trihydroxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid | (4S,5R,6R)-5-acetylamino-4-guanidino-6-((1R,2R)-1,2,3-trihydroxy-propy)-5,6-dihydro-4H-pyran-2-carboxylic acid | (4S,5R,6R)-5-acetylamino-4-guanidino-6-((1R,2R)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid | 4-diaminomethylamino-3-methylcarboxamido-2-(1,2,3-trihydroxypropyl)-(3R)-3,4-dihydro-2H-6-pyrancarboxylic acid(Zanamivir) | 5-Acetylamino-4-guanidino-6-(1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid | 5-Acetylamino-4-guanidino-6-(1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid(zanamivir) | 5-Formylamino-4-guanidino-6-(1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid | CHEMBL222813 | GR-121167X | Relenza | Zanamivi
Type:
Small organic molecule
Emp. Form.:
C12H20N4O7
Mol. Mass.:
332.3098
SMILES:
[#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|