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Q9Y251 | HPSE_HUMAN | Heparanase (HPSE)

3D structures mapped by conservation among orthologs

[ Domain: "Glycosyl hydrolase domain" // UNK_F_TYPE ]

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[ Domain: "TIM barrels" // Glyco_hydro_39_1st ]

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[ 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
CHEMBL200597 OBDepict O N H N H N N N N H H CH 3 H 3 C CH 3 H 3 C IC50 = 75.0 nM 500.61 Cc1cc2nc(-c3ccc(NC(=O)Nc4ccc(-c5nc6cc(C)c(C)cc6[nH]5)cc4)cc3)[nH]c2cc1C Homo sapiens CHEMBL869912 assay format
CHEMBL199610 OBDepict O N H N H N N N N H H CH 3 IC50 = 150.0 nM 458.53 Cc1cccc2[nH]c(-c3ccc(NC(=O)Nc4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)nc12 Homo sapiens CHEMBL869912 assay format
CHEMBL200541 OBDepict O N H N H N N N N H H CH 3 H 3 C IC50 = 150.0 nM 472.55 Cc1cccc2[nH]c(-c3ccc(NC(=O)Nc4ccc(-c5nc6c(C)cccc6[nH]5)cc4)cc3)nc12 Homo sapiens CHEMBL869912 assay format
CHEMBL372737 OBDepict O N H N H N N N N H H CH 3 H 3 C IC50 = 150.0 nM 472.55 Cc1ccc2[nH]c(-c3ccc(NC(=O)Nc4ccc(-c5nc6cc(C)ccc6[nH]5)cc4)cc3)nc2c1 Homo sapiens CHEMBL869912 assay format
CHEMBL4576477 OBDepict CH 3 O Br HN O N H F N N H IC50 = 160.0 nM 545.41 COc1ccc(C(=O)Nc2ccc(CNc3ccc(-c4nc5ccccc5[nH]4)cc3F)cc2)cc1Br Homo sapiens CHEMBL4326335 single protein format
CHEMBL4283251 OBDepict O N H N H F F N O N O O OH O OH IC50 = 180.0 nM 598.52 O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)Nc4ccc(-c5nc6cc(CC(=O)O)ccc6o5)cc4F)c(F)c3)nc2c1 Homo sapiens CHEMBL4265450 single protein format
CHEMBL193906 OBDepict CH 3 HN O N N O O O OH Cl IC50 = 200.0 nM 551.99 CCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(Cl)cc3)ccc2o1 Homo sapiens CHEMBL831099 single protein format
CHEMBL2349247 OBDepict CH 3 O N O F N H O Cl Cl IC50 = 200.0 nM 483.33 CC(=O)Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccc(Cl)c(Cl)c4)cc3F)nc2c1 Homo sapiens CHEMBL2349721 assay format
CHEMBL326904 OBDepict CH 3 O O N N O O O OH O O IC50 = 200.0 nM 534.48 COc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc4c(c3)OCO4)ccc2o1 Homo sapiens CHEMBL872937 organism-based format
CHEMBL193591 OBDepict OH O N O F N H O Cl Cl IC50 = 200.0 nM 485.3 O=C(O)Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccc(Cl)c(Cl)c4)cc3F)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL196746 OBDepict OH O N O F N H O Cl Cl IC50 = 200.0 nM 485.3 O=C(O)Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccc(Cl)cc4Cl)cc3F)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL193625 OBDepict O N H Br F O N O OH IC50 = 200.0 nM 495.3 O=C(O)Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4cccc(Br)c4)cc3F)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL325614 OBDepict H 3 C O NH O N N O O O HO Cl IC50 = 200.0 nM 567.99 COCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(Cl)cc3)ccc2o1 Homo sapiens CHEMBL872937 organism-based format
CHEMBL200215 OBDepict CH 3 O Br HN O N H N N H IC50 = 230.0 nM 527.42 COc1ccc(C(=O)Nc2ccc(CNc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1Br Homo sapiens CHEMBL868733 assay format
CHEMBL109657 OBDepict H 3 C NH O N N O O O HO IC50 = 250.0 nM 517.54 CCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1 Homo sapiens CHEMBL872937 organism-based format
CHEMBL380606 OBDepict O N H N H N N N N H H IC50 = 270.0 nM 444.5 O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 Homo sapiens CHEMBL869912 assay format
CHEMBL200831 OBDepict CH 3 O Br HN O N H N N N H IC50 = 290.0 nM 528.41 COc1ccc(C(=O)Nc2ccc(CNc3ccc(-c4nc5ccccc5[nH]4)cn3)cc2)cc1Br Homo sapiens CHEMBL868733 assay format
CHEMBL383774 OBDepict CH 3 O F N H O N O O HO IC50 = 300.0 nM 446.43 COc1ccc(NC(=O)/C=C/c2ccc(-c3nc4cc(CC(=O)O)ccc4o3)cc2)cc1F Homo sapiens CHEMBL831099 single protein format
CHEMBL381885 OBDepict O N H Cl Cl O Cl N S O OH IC50 = 300.0 nM 533.82 O=C(O)Cc1nc(-c2ccc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)cc3Cl)o2)cs1 Homo sapiens CHEMBL831099 single protein format
CHEMBL364476 OBDepict N N H O F N O O HO IC50 = 300.0 nM 441.42 N#Cc1ccc(NC(=O)/C=C/c2ccc(-c3nc4cc(CC(=O)O)ccc4o3)c(F)c2)cc1 Homo sapiens CHEMBL831099 single protein format
CHEMBL196395 OBDepict O N H F F Cl O N O OH IC50 = 300.0 nM 468.84 O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4cccc(Cl)c4F)c(F)c3)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL4251007 OBDepict O O N CH 3 CH 3 N S N O O Cl N N O IC50 = 350.0 nM 562.01 CC(C)(CC(=O)On1nnc2ccccc2c1=O)CN1C(=O)c2cc3oc(-c4ccc(Cl)cc4)cc3n2C1=S Homo sapiens CHEMBL4229646 cell-based format
CHEMBL383157 OBDepict OH O N O F N H O Cl Cl IC50 = 350.0 nM 485.3 O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)c(F)c3)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL196662 OBDepict OH O N O Cl N H O Cl Cl IC50 = 350.0 nM 501.75 O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)cc3Cl)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL194231 OBDepict OH O N O F N H O Br IC50 = 400.0 nM 495.3 O=C(O)Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccc(Br)cc4)cc3F)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL109419 OBDepict H 3 C O N O O O N O OH F F IC50 = 400.0 nM 526.45 COc1ccc(-c2nc3cc(-c4cc(F)cc(F)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O Homo sapiens CHEMBL872937 organism-based format
CHEMBL196875 OBDepict OH O N O F N H O Br IC50 = 400.0 nM 495.3 O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Br)cc4)c(F)c3)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL195663 OBDepict OH O N O Cl N H O Br IC50 = 400.0 nM 511.76 O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Br)cc4)cc3Cl)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL324065 OBDepict H 3 C O N O O O N O OH F IC50 = 400.0 nM 508.46 COc1ccc(-c2nc3cc(-c4ccc(F)cc4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O Homo sapiens CHEMBL872937 organism-based format
CHEMBL112849 OBDepict H 3 C O N O O O N O OH O F F F IC50 = 400.0 nM 574.47 COc1ccc(-c2nc3cc(-c4ccc(OC(F)(F)F)cc4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O Homo sapiens CHEMBL872937 organism-based format
CHEMBL371702 OBDepict H 3 C O N H O Cl O N S O HO IC50 = 400.0 nM 494.96 COc1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(-c4csc(CC(=O)O)n4)o3)c(Cl)c2)cc1 Homo sapiens CHEMBL831099 single protein format
CHEMBL197366 OBDepict O N H Cl O Br N S O OH IC50 = 400.0 nM 543.83 O=C(O)Cc1nc(-c2ccc(-c3ccc(NC(=O)/C=C/c4ccc(Br)cc4)cc3Cl)o2)cs1 Homo sapiens CHEMBL831099 single protein format
CHEMBL321840 OBDepict CH 3 HN O N N O O O OH IC50 = 400.0 nM 531.57 CCCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1 Homo sapiens CHEMBL872937 organism-based format
CHEMBL371640 OBDepict OH O N O N H O Cl Cl IC50 = 400.0 nM 467.31 O=C(O)Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccc(Cl)cc4Cl)cc3)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL196338 OBDepict CH 3 O F N H O F N O O HO IC50 = 450.0 nM 464.42 COc1ccc(NC(=O)/C=C/c2ccc(-c3nc4cc(CC(=O)O)ccc4o3)c(F)c2)c(F)c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL109779 OBDepict CH 3 O N O N O H 3 C O O O HO IC50 = 450.0 nM 520.5 COc1ccc(-c2ccc3oc(-c4ccc(OC)c(N5C(=O)c6ccc(C(=O)O)cc6C5=O)c4)nc3c2)cc1 Homo sapiens CHEMBL872937 organism-based format
CHEMBL381461 OBDepict OH O S N O Cl N H O IC50 = 450.0 nM 464.93 O=C(O)Cc1nc(-c2ccc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3Cl)o2)cs1 Homo sapiens CHEMBL831099 single protein format
CHEMBL324195 OBDepict H 3 C O NH O N N O O O HO F IC50 = 500.0 nM 551.53 COCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(F)cc3)ccc2o1 Homo sapiens CHEMBL872937 organism-based format
CHEMBL195672 OBDepict O N H Br O N O HO IC50 = 500.0 nM 477.31 O=C(O)Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4cccc(Br)c4)cc3)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL495255 OBDepict CH 3 HN O N N O O O OH F IC50 = 500.0 nM 535.53 CCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(F)cc3)ccc2o1 Homo sapiens CHEMBL2349721 assay format
CHEMBL321645 OBDepict H 3 C O N O O O N O OH F F IC50 = 600.0 nM 526.45 COc1ccc(-c2nc3cc(-c4ccc(F)c(F)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O Homo sapiens CHEMBL872937 organism-based format
CHEMBL197566 OBDepict OH O N O N H O Br IC50 = 600.0 nM 477.31 O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Br)cc4)cc3)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL196336 OBDepict HO O S N O Cl N H O O F F F IC50 = 600.0 nM 548.93 O=C(O)Cc1nc(-c2ccc(-c3ccc(NC(=O)/C=C/c4ccc(OC(F)(F)F)cc4)cc3Cl)o2)cs1 Homo sapiens CHEMBL831099 single protein format
CHEMBL114134 OBDepict CH 3 O N O O O N O HO Cl IC50 = 600.0 nM 524.92 COc1ccc(-c2nc3cc(-c4cccc(Cl)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O Homo sapiens CHEMBL872937 organism-based format
CHEMBL196713 OBDepict O N H F Cl O N O OH IC50 = 700.0 nM 450.85 O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4cccc(Cl)c4)c(F)c3)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL193882 OBDepict OH O N O N H O Br IC50 = 700.0 nM 477.31 O=C(O)Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccc(Br)cc4)cc3)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL431662 OBDepict CH 3 O N O O O N O OH O O IC50 = 750.0 nM 534.48 COc1ccc(-c2nc3cc(-c4ccc5c(c4)OCO5)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O Homo sapiens CHEMBL872937 organism-based format
CHEMBL195907 OBDepict OH O N O F N H O Cl F IC50 = 750.0 nM 468.84 O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(F)c(Cl)c4)c(F)c3)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL538656 OBDepict OH O N O F N H O F F IC50 = 750.0 nM 452.39 O=C(O)Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccc(F)cc4F)cc3F)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL196826 OBDepict O N H Br O N O OH IC50 = 750.0 nM 477.31 O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4cccc(Br)c4)cc3)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL196299 OBDepict O N H Cl Br O N O HO IC50 = 750.0 nM 511.76 O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4cccc(Br)c4)cc3Cl)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL382948 OBDepict O N H F Br O N O OH IC50 = 800.0 nM 495.3 O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4cccc(Br)c4)c(F)c3)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL194271 OBDepict OH O N O F N H O Cl Cl IC50 = 800.0 nM 485.3 O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)c(Cl)c4)c(F)c3)nc2c1 Homo sapiens CHEMBL831099 single protein format
CHEMBL195985 OBDepict N N H O F N O O OH IC50 = 800.0 nM 441.42 N#Cc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4cc(CC(=O)O)ccc4o3)cc2F)cc1 Homo sapiens CHEMBL831099 single protein format
CHEMBL113565 OBDepict CH 3 O N O O O N O HO F F IC50 = 800.0 nM 526.45 COc1ccc(-c2nc3cc(-c4ccc(F)cc4F)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O Homo sapiens CHEMBL872937 organism-based format
CHEMBL200758 OBDepict CH 3 O N N H N H N H O N N H O H 3 C IC50 = 870.0 nM 504.55 COc1cccc2[nH]c(-c3ccc(NC(=O)Nc4ccc(-c5nc6c(OC)cccc6[nH]5)cc4)cc3)nc12 Homo sapiens CHEMBL869912 assay format
CHEMBL200807 OBDepict O N H N H N N N N N N H H IC50 = 900.0 nM 446.47 O=C(Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1)Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1 Homo sapiens CHEMBL869912 assay format
CHEMBL112480 OBDepict CH 3 O O N N O O O OH F F IC50 = 900.0 nM 526.45 COc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3cc(F)cc(F)c3)ccc2o1 Homo sapiens CHEMBL872937 organism-based format
CHEMBL199569 OBDepict H 3 C O Br NH O N H O N N H IC50 = 910.0 nM 541.41 COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1Br Homo sapiens CHEMBL868733 assay format
CHEMBL200399 OBDepict CH 3 O Br HN O N H N N N H IC50 = 930.0 nM 528.41 COc1ccc(C(=O)Nc2ccc(CNc3ccc(-c4nc5cc[nH]cc-5n4)cc3)cc2)cc1Br Homo sapiens CHEMBL868733 assay format
CHEMBL274736 OBDepict CH 3 O Br N H N H O N N H IC50 = 930.0 nM 437.3 COc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Br Homo sapiens CHEMBL868733 assay format
CHEMBL4291586 OBDepict O N H N H F F N N N N H H O HO O HO IC50 = 980.0 nM 596.55 O=C(O)Cc1ccc2[nH]c(-c3ccc(NC(=O)Nc4ccc(-c5nc6cc(CC(=O)O)ccc6[nH]5)cc4F)c(F)c3)nc2c1 Homo sapiens CHEMBL4265450 single protein format
CHEMBL200553 OBDepict O N H N H N N N N H N H IC50 = 1000.0 nM 445.49 O=C(Nc1ccc(-c2nc3ccc[nH]c-3n2)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 Homo sapiens CHEMBL869912 assay format
CHEMBL82744 OBDepict _ O + N O O O O OH IC50 = 1000.0 nM 363.32 O=C(O)c1ccccc1C(=O)c1ccc(Oc2ccccc2)c([N+](=O)[O-])c1 Homo sapiens CHEMBL2349721 assay format
CHEMBL2349245 OBDepict HO NH HN HO O O HO F F F IC50 = 1000.0 nM 272.18 O=C(O)C1CNC(NC(=O)C(F)(F)F)C(O)C1O Homo sapiens CHEMBL2349721 assay format
CHEMBL197107 OBDepict OH O S N O Cl N H O Cl Cl IC50 = 1000.0 nM 507.78 O=C(O)Cc1nc(-c2ccc(-c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3Cl)o2)cs1 Homo sapiens CHEMBL831099 single protein format
CHEMBL110076 OBDepict CH 3 HN O N N O O O OH IC50 = 1000.0 nM 503.51 CCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1 Homo sapiens CHEMBL872937 organism-based format
CHEMBL419009 OBDepict CH 3 O N O O O N O HO F IC50 = 1000.0 nM 508.46 COc1ccc(-c2nc3cc(-c4cccc(F)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O Homo sapiens CHEMBL872937 organism-based format