HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q99519 | NEUR1_HUMAN | Sialidase-1 (NEU1)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4278858 OBDepict OH HO H OH H H O H N H H HO O OH O N N N H 2 N Ki = 53.0 nM 449.42 Nc1ccc(-c2cn(CC(=O)N[C@@H]3[C@@H](O)C=C(C(=O)O)O[C@H]3[C@H](O)[C@H](O)CO)nn2)cc1 Homo sapiens CHEMBL4261238 cell-based format
CHEMBL4290253 OBDepict H 3 C NH O H H HO H O OH H HO H O HO NH O CH 3 IC50 = 140.0 nM 388.42 CCCCCC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CNC(C)=O Homo sapiens CHEMBL4261234 cell-based format
CHEMBL4291908 OBDepict CH 3 N H O H H OH H O HO H HO H O OH OH Ki = 180.0 nM 347.36 CCCCCC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO Homo sapiens CHEMBL4261238 cell-based format
CHEMBL4281290 OBDepict H 3 C NH O H H HO H O OH H OH H O HO HO Ki = 240.0 nM 333.34 CCCCC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO Homo sapiens CHEMBL4261238 cell-based format
CHEMBL4279593 OBDepict H 3 C NH O H H HO H O OH H HO H O HO NH O CH 3 IC50 = 350.0 nM 374.39 CCCCC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CNC(C)=O Homo sapiens CHEMBL4261234 cell-based format
CHEMBL4283057 OBDepict H 3 C NH O H H HO H O OH H HO H O HO NH O H 3 C IC50 = 400.0 nM 402.44 CCCCCC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CNC(=O)CC Homo sapiens CHEMBL4261234 cell-based format
CHEMBL4291908 OBDepict CH 3 N H O H H OH H O HO H HO H O OH OH IC50 = 420.0 nM 347.36 CCCCCC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO Homo sapiens CHEMBL4261234 cell-based format
CHEMBL4453020 OBDepict CH 3 H 3 C N H O H H HO H O OH H OH H O OH NH O H 3 C IC50 = 420.0 nM 402.44 CCCCC(C)C(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CNC(C)=O Homo sapiens CHEMBL4418863 cell-based format
CHEMBL4472555 OBDepict H 3 C CH 3 HN O H H OH H O OH H HO H O OH OH IC50 = 550.0 nM 361.39 CCCCC(C)C(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO Homo sapiens CHEMBL4418863 cell-based format
CHEMBL4566262 OBDepict CH 3 NH O H 3 C H H HO H O OH H OH H O OH HO IC50 = 580.0 nM 375.42 CCCCC(CC)C(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO Homo sapiens CHEMBL4418863 cell-based format
CHEMBL4076483 OBDepict CH 3 NH O OH H HO H H O H N H H HO O OH O H 3 C Ki = 830.0 nM 374.39 CCCCC(=O)NC[C@@H](O)[C@@H](O)[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1NC(C)=O Homo sapiens CHEMBL4261239 cell-based format
CHEMBL4281290 OBDepict H 3 C NH O H H HO H O OH H OH H O HO HO IC50 = 990.0 nM 333.34 CCCCC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO Homo sapiens CHEMBL4261234 cell-based format
CHEMBL4440333 OBDepict CH 3 NH O H H OH H O OH H HO H O HO IC50 = 990.0 nM 469.53 CCCCC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)Cc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL4418863 cell-based format