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P17405 | ASM_HUMAN | Sphingomyelin phosphodiesterase (SMPD1)

3D structures mapped by conservation among orthologs

[ Domain: "Saposin-like" // SapB_1 ]

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[ Domain: "Metallo-dependent phosphatases" // PhoD_1 ]

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[ Domain: "Metallo-dependent phosphatases" // PhoD_1,SapB_1 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4163007 OBDepict H 3 C O O H 2 N P P O OH HO O OH OH IC50 = 20.0 nM 349.26 CCCCCCCCCC(N)(OP(=O)(O)O)OP(=O)(O)O Homo sapiens CHEMBL4153026 assay format
CHEMBL4553570 OBDepict H 3 C P P NH 2 O OH HO O HO OH IC50 = 20.0 nM 289.2 CCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O Homo sapiens CHEMBL4381550 single protein format
CHEMBL4176817 OBDepict H 3 C O O HO P P O OH HO O OH OH IC50 = 70.0 nM 378.3 CCCCCCCCCCCC(O)(OP(=O)(O)O)OP(=O)(O)O Homo sapiens CHEMBL4153026 assay format
CHEMBL4167088 OBDepict H 3 C O O H 2 N P P O OH HO O OH OH IC50 = 290.0 nM 377.31 CCCCCCCCCCCC(N)(OP(=O)(O)O)OP(=O)(O)O Homo sapiens CHEMBL4153026 assay format
CHEMBL4161092 OBDepict CH 3 O O P P O OH HO O OH HO IC50 = 300.0 nM 334.24 CCCCCCCCCC(OP(=O)(O)O)OP(=O)(O)O Homo sapiens CHEMBL4153026 assay format
CHEMBL4172326 OBDepict CH 3 O O P P O HO OH O OH OH IC50 = 310.0 nM 348.27 CCCCCCCCCCC(OP(=O)(O)O)OP(=O)(O)O Homo sapiens CHEMBL4153026 assay format
CHEMBL4551503 OBDepict OH N H O O N O Cl IC50 = 320.0 nM 344.75 O=C(NO)c1cc(OCc2ccc(-c3ccc(Cl)cc3)cc2)no1 Homo sapiens CHEMBL4381524 single protein format
CHEMBL4464117 OBDepict CH 3 O O N H O HO Cl IC50 = 340.0 nM 383.83 COc1ccc(C(=O)NO)cc1OCc1ccc(-c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL4381524 single protein format
CHEMBL4169019 OBDepict CH 3 O O P P O OH HO O OH HO IC50 = 350.0 nM 306.19 CCCCCCCC(OP(=O)(O)O)OP(=O)(O)O Homo sapiens CHEMBL4153026 assay format
CHEMBL4517596 OBDepict OH HN O O Cl IC50 = 360.0 nM 353.81 O=C(NO)c1cccc(OCc2ccc(-c3ccc(Cl)cc3)cc2)c1 Homo sapiens CHEMBL4381549 single protein format
CHEMBL4464068 OBDepict CH 3 O N O N H O HO IC50 = 360.0 nM 284.36 CCCCCCCCCCOc1cc(C(=O)NO)on1 Homo sapiens CHEMBL4381524 single protein format
CHEMBL4175277 OBDepict H 3 C S O O O H O H O OH P H HO H O O HO HO P O HO HO IC50 = 440.0 nM 558.48 CCCCCCCCCCCCS(=O)(=O)O[C@H]1OC(O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H]1OP(=O)(O)O Homo sapiens CHEMBL4153026 assay format
CHEMBL4167681 OBDepict H 3 C O O CH 3 HN O OH IC50 = 480.0 nM 323.43 CCCCCCCCCCOc1cc(C(=O)NO)ccc1OC Homo sapiens CHEMBL4153026 assay format
CHEMBL4471880 OBDepict OH N H O O N O IC50 = 880.0 nM 310.31 O=C(NO)c1cc(OCc2ccc(-c3ccccc3)cc2)no1 Homo sapiens CHEMBL4381524 single protein format