Reaction Details |
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Target | Sialidase-1 |
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Ligand | BDBM4706 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1799825 (CHEMBL4272117) |
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Ki | 12000±n/a nM |
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Citation | Richards, MR; Guo, T; Hunter, CD; Cairo, CW Molecular dynamics simulations of viral neuraminidase inhibitors with the human neuraminidase enzymes: Insights into isoenzyme selectivity. Bioorg Med Chem26:5349-5358 (2018) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Sialidase-1 |
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Name: | Sialidase-1 |
Synonyms: | NANH | NEU1 | NEUR1_HUMAN | Sialidase 1 |
Type: | PROTEIN |
Mol. Mass.: | 45463.28 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_960639 |
Residue: | 415 |
Sequence: | MTGERPSTALPDRRWGPRILGFWGGCRVWVFAAIFLLLSLAASWSKAENDFGLVQPLVTM
EQLLWVSGRQIGSVDTFRIPLITATPRGTLLAFAEARKMSSSDEGAKFIALRRSMDQGST
WSPTAFIVNDGDVPDGLNLGAVVSDVETGVVFLFYSLCAHKAGCQVASTMLVWSKDDGVS
WSTPRNLSLDIGTEVFAPGPGSGIQKQREPRKGRLIVCGHGTLERDGVFCLLSDDHGASW
RYGSGVSGIPYGQPKQENDFNPDECQPYELPDGSVVINARNQNNYHCHCRIVLRSYDACD
TLRPRDVTFDPELVDPVVAAGAVVTSSGIVFFSNPAHPEFRVNLTLRWSFSNGTSWRKET
VQLWPGPSGYSSLATLEGSMDGEEQAPQLYVLYEKGRNHYTESISVAKISVYGTL
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BDBM4706 |
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n/a |
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Name | BDBM4706 |
Synonyms: | (2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid | 2,3-didehydro-2-deoxy-N-acetylneuraminic acid | CHEMBL96712 | DANA | Neu5Ac2en |
Type | Small organic molecule |
Emp. Form. | C11H17NO8 |
Mol. Mass. | 291.2546 |
SMILES | CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| |
Structure |
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