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Q16647 | PTGIS_HUMAN | Prostacyclin synthase (PTGIS)

3D structures mapped by conservation among orthologs

[ Domain: "Cytochrome P450" // p450 ]

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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
CHEMBL353356 OBDepict HO O O O N O H 3 C H 3 C F IC50 < 1000.0 nM 429.49 CC(C)(Oc1ccccc1F)C1OCC(C/C=CCCC(=O)O)C(c2cccnc2)O1 Homo sapiens CHEMBL768446 assay format
CHEMBL161518 OBDepict OH O O O N O CH 3 CH 3 + N O _ O IC50 < 1000.0 nM 456.5 CC(C)(Oc1ccccc1[N+](=O)[O-])C1OCC(C/C=CCCC(=O)O)C(c2cccnc2)O1 Homo sapiens CHEMBL768446 assay format
CHEMBL159859 OBDepict HO O O O N O H 3 C H 3 C Br IC50 < 1000.0 nM 490.39 CC(C)(Oc1ccc(Br)cc1)C1OCC(C/C=CCCC(=O)O)C(c2cccnc2)O1 Homo sapiens CHEMBL768446 assay format