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P05981 | HEPS_HUMAN | Serine protease hepsin (HPN)

3D structures mapped by conservation among orthologs

[ Domain: "FMN-binding split barrel 2" // Trypsin_1 ]

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[ Domain: "SRCR-like" // Hepsin-SRCR ]

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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
CHEMBL273264 OBDepict NH 2 HN NH O O NH H 2 N Ki = 0.53 nM 347.38 N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 Homo sapiens CHEMBL3389936 single protein format
CHEMBL3747482 OBDepict H 3 C H 3 C NH H N H O O H N H H O N S O H 3 C N H O H 2 N NH NH 2 Ki = 1.04 nM 524.65 CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nccs1 Homo sapiens CHEMBL3748443 single protein format
CHEMBL3747468 OBDepict H 3 C H 3 C NH H N H O O H N H H O N S O H 3 C N H O H 2 N NH NH 2 Ki = 2.88 nM 524.65 CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)c1nccs1 Homo sapiens CHEMBL3748443 single protein format
CHEMBL3746517 OBDepict H 2 N N H NH N H H O N S O HN H O CH 3 CH 3 CH 3 Ki = 2.91 nM 446.58 CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1 Homo sapiens CHEMBL3748443 single protein format
CHEMBL404190 OBDepict H 2 N N NH 2 N H H O N S O HN H O CH 3 CH 3 CH 3 Ki = 3.38 nM 446.58 CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1 Homo sapiens CHEMBL3748443 single protein format
CHEMBL273264 OBDepict NH 2 HN NH O O NH H 2 N IC50 = 5.0 nM 347.38 N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 Homo sapiens CHEMBL4122262 cell-based format
CHEMBL3747618 OBDepict CH 3 H 3 C N H H HN O O H 3 C H O N S HN HN NH 2 Ki = 21.5 nM 396.52 CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)c1nccs1 Homo sapiens CHEMBL3748443 single protein format
CHEMBL3747575 OBDepict CH 3 H 3 C N H H HN O O H 3 C H O N S HN HN NH 2 Ki = 22.4 nM 396.52 CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nccs1 Homo sapiens CHEMBL3748443 single protein format
CHEMBL590799 OBDepict CH 3 N H 3 C O O O O O N H HN NH 2 IC50 = 29.0 nM 398.42 CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1 Homo sapiens CHEMBL4122262 cell-based format
CHEMBL191881 OBDepict O NH H O N H H N H O H 3 C CH 3 HN H 2 N HN H O CH 3 CH 3 H 3 C Ki = 61.0 nM 426.56 CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCNC(=N)N Homo sapiens CHEMBL3389936 single protein format
CHEMBL4128554 OBDepict O N H HN H S O O F NH NH 2 IC50 = 90.0 nM 432.52 N=C(N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(F)cc2)C2CCCCC2)cc1 Homo sapiens CHEMBL4122262 cell-based format
CHEMBL4126579 OBDepict O N H HN H S O O Cl NH NH 2 IC50 = 100.0 nM 448.98 N=C(N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C2CCCCC2)cc1 Homo sapiens CHEMBL4122262 cell-based format
CHEMBL4129836 OBDepict O N H HN H S O O H 3 C NH NH 2 IC50 = 100.0 nM 422.51 Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(C(=N)N)cc2)c2ccccc2)cc1 Homo sapiens CHEMBL4122270 cell-based format
CHEMBL3632759 OBDepict NH 2 HN N H N HO Ki = 100.0 nM 334.42 N=C(N)c1ccc2[nH]c(-c3cccc(C4(O)CCCCC4)n3)cc2c1 Homo sapiens CHEMBL3637191 single protein format
CHEMBL3632761 OBDepict _ O + N N HO H NH NH 2 Ki = 100.0 nM 350.42 N=C(N)c1ccc2[nH]c(-c3cccc(C4(O)CCCCC4)[n+]3[O-])cc2c1 Homo sapiens CHEMBL3637191 single protein format
CHEMBL3781784 OBDepict OH N N O N NH NH 2 Ki = 210.0 nM 421.55 N=C(N)c1cccc(N2CC(O)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1 Homo sapiens CHEMBL3782551 single protein format
CHEMBL4127165 OBDepict O N H HN H S O O H 3 C NH NH 2 IC50 = 220.0 nM 428.56 Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(C(=N)N)cc2)C2CCCCC2)cc1 Homo sapiens CHEMBL4122265 cell-based format
CHEMBL46469 OBDepict OH O OH IC50 = 230.0 nM 226.23 O=C1c2c(O)cccc2Cc2cccc(O)c21 Homo sapiens CHEMBL3887550 single protein format
CHEMBL4128355 OBDepict O HN HN S O O H 3 C NH NH 2 IC50 = 250.0 nM 422.51 Cc1ccc(S(=O)(=O)NC(C(=O)Nc2ccc(C(=N)N)cc2)c2ccccc2)cc1 Homo sapiens CHEMBL4122265 cell-based format
CHEMBL48233 OBDepict O HN NH 2 NH NH 2 IC50 = 272.0 nM 372.47 N=C(N)c1ccc(/C=C2CCCC/C(=Cc3ccc(C(=N)N)cc3)C2=O)cc1 Homo sapiens CHEMBL4122262 cell-based format
CHEMBL3188992 OBDepict O N O + N O _ O IC50 = 280.0 nM 218.17 O=C1C=CC(=O)N1c1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL3887550 single protein format
CHEMBL4125890 OBDepict CH 3 O S NH O O H N H O HN NH 2 IC50 = 300.0 nM 444.56 COc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(C(=N)N)cc2)C2CCCCC2)cc1 Homo sapiens CHEMBL4122262 cell-based format
CHEMBL3780269 OBDepict O N H N N O N HN NH 2 Ki = 310.0 nM 552.72 N=C(N)c1cccc(N2CC(CNC(=O)Cc3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1 Homo sapiens CHEMBL3782551 single protein format
CHEMBL3933764 OBDepict O N H O HO + N N O O _ O IC50 = 330.0 nM 441.4 O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 Homo sapiens CHEMBL3887550 single protein format
CHEMBL1449583 OBDepict H 3 C N H HN IC50 = 350.0 nM 260.34 Cc1cccc(C2Nc3cccc4cccc(c34)N2)c1 Homo sapiens CHEMBL3404298 single protein format
CHEMBL87563 OBDepict CH 3 O O O O N NH 2 H 2 N IC50 = 383.0 nM 321.38 CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1 Homo sapiens CHEMBL4122262 cell-based format
CHEMBL3632760 OBDepict NH 2 HN N H N F Ki = 400.0 nM 336.41 N=C(N)c1ccc2[nH]c(-c3cccc(C4(F)CCCCC4)n3)cc2c1 Homo sapiens CHEMBL3637191 single protein format
CHEMBL608 OBDepict CH 3 S S H 3 C OH HO H 3 C H 3 C CH 3 H 3 C CH 3 H 3 C CH 3 CH 3 CH 3 H 3 C H 3 C CH 3 IC50 = 430.0 nM 516.86 CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 Homo sapiens CHEMBL3887550 single protein format
CHEMBL4128130 OBDepict H 3 C N H N H O S O O CH 3 HN H 2 N IC50 = 500.0 nM 402.52 CCCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(C(=N)N)cc1 Homo sapiens CHEMBL4122262 cell-based format
CHEMBL3781673 OBDepict O N N HN S N O O NH NH 2 Ki = 530.0 nM 574.75 N=C(N)c1cccc(N2CC(NS(=O)(=O)Cc3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1 Homo sapiens CHEMBL3782551 single protein format
CHEMBL3781349 OBDepict CH 3 N N O N NH H 2 N Ki = 540.0 nM 419.57 CC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1 Homo sapiens CHEMBL3782551 single protein format
CHEMBL3403521 OBDepict H 3 C O N H H 3 C N H O S O O N N H 3 C HN H 2 N Ki = 553.0 nM 494.58 CCc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)NS(=O)(=O)c2cn(C)cn2)cc2c(C)coc12 Homo sapiens CHEMBL3404297 single protein format
CHEMBL3780036 OBDepict O N N O N NH NH 2 Ki = 560.0 nM 525.7 N=C(N)c1cccc(N2CC(COCc3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1 Homo sapiens CHEMBL3782551 single protein format
CHEMBL3963713 OBDepict _ O + N O N H F F F IC50 = 570.0 nM 360.33 O=[N+]([O-])c1ccc(C2Nc3c(cccc3C(F)(F)F)C3C=CCC32)cc1 Homo sapiens CHEMBL3887550 single protein format
CHEMBL3632758 OBDepict NH 2 HN N H N N Ki = 600.0 nM 319.41 N=C(N)c1ccc2[nH]c(-c3cccc(N4CCCCC4)n3)cc2c1 Homo sapiens CHEMBL3637191 single protein format
CHEMBL4129512 OBDepict H 3 C CH 3 NH N H O S O O CH 3 HN NH 2 IC50 = 600.0 nM 402.52 Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc2ccc(C(=N)N)cc2)cc1 Homo sapiens CHEMBL4122262 cell-based format
CHEMBL3780005 OBDepict NH 2 NH N O N HN S O O N Ki = 670.0 nM 560.72 N=C(N)c1cccc(N2CC(NS(=O)(=O)c3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1 Homo sapiens CHEMBL3782551 single protein format
CHEMBL3403533 OBDepict CH 3 S NH O O H N O N NH H 2 N N H O Ki = 670.0 nM 576.72 Cc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)NCCc3ccccc3)CC2)cc1 Homo sapiens CHEMBL3404297 single protein format
CHEMBL4127452 OBDepict NH 2 NH HN O HN H S O O F F F IC50 = 680.0 nM 482.53 N=C(N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2)C2CCCCC2)cc1 Homo sapiens CHEMBL4122262 cell-based format
CHEMBL3781354 OBDepict OH N N O N HN NH 2 Ki = 690.0 nM 435.57 N=C(N)c1cccc(N2CC(CO)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1 Homo sapiens CHEMBL3782551 single protein format
CHEMBL4127961 OBDepict O HN HN S O O H 3 C NH NH 2 IC50 = 700.0 nM 428.56 Cc1ccc(S(=O)(=O)NC(CC2CCCC2)C(=O)Nc2ccc(C(=N)N)cc2)cc1 Homo sapiens CHEMBL4122262 cell-based format
CHEMBL3983642 OBDepict O N H N H N S N Cl Cl Br IC50 = 720.0 nM 444.14 O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccc(Br)cc2)s1 Homo sapiens CHEMBL3887550 single protein format
CHEMBL3780273 OBDepict O N N N H S N O O CH 3 HN NH 2 Ki = 720.0 nM 498.65 CS(=O)(=O)NC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1 Homo sapiens CHEMBL3782551 single protein format
CHEMBL291278 OBDepict CH 3 NH H O HO O OH IC50 = 750.0 nM 147.13 CN[C@H](CC(=O)O)C(=O)O Homo sapiens CHEMBL3887550 single protein format
CHEMBL3781626 OBDepict CH 3 O N N O N NH NH 2 Ki = 760.0 nM 435.57 COC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1 Homo sapiens CHEMBL3782551 single protein format
CHEMBL3937216 OBDepict O N H N H N S N Cl O CH 3 CH 3 IC50 = 760.0 nM 388.88 Cc1ccc(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1C Homo sapiens CHEMBL3887550 single protein format
CHEMBL3780208 OBDepict O N N O N NH NH 2 Ki = 760.0 nM 511.67 N=C(N)c1cccc(N2CC(OCc3ccccc3)CN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1 Homo sapiens CHEMBL3782551 single protein format
CHEMBL48361 OBDepict OH O N O N N N CH 3 NH HN NH 2 Ki = 835.0 nM 471.52 Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21 Homo sapiens CHEMBL3404297 single protein format
CHEMBL4126905 OBDepict O N H N H S O O CH 3 HN H 2 N IC50 = 860.0 nM 414.53 Cc1ccc(S(=O)(=O)NC(C(=O)Nc2ccc(C(=N)N)cc2)C2CCCC2)cc1 Homo sapiens CHEMBL4122262 cell-based format
CHEMBL4128512 OBDepict CH 3 S NH O O NH O NH H 2 N IC50 = 870.0 nM 450.56 Cc1ccc(S(=O)(=O)NC(CCc2ccccc2)C(=O)Nc2ccc(C(=N)N)cc2)cc1 Homo sapiens CHEMBL4122265 cell-based format
CHEMBL4128098 OBDepict H 3 C N H N H O S O O CH 3 F HN H 2 N IC50 = 900.0 nM 420.51 CCCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(C(=N)N)cc1F Homo sapiens CHEMBL4122262 cell-based format
CHEMBL3780434 OBDepict H 3 C O N N O N NH NH 2 Ki = 920.0 nM 449.6 COCC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1 Homo sapiens CHEMBL3782551 single protein format
CHEMBL3891244 OBDepict O CH 3 CH 3 O HN Br S O O IC50 = 930.0 nM 448.34 CC1(C)CC(=O)c2c(oc3c(Br)cc(NS(=O)(=O)c4ccccc4)cc23)C1 Homo sapiens CHEMBL3887550 single protein format
CHEMBL3922811 OBDepict CH 3 N S O O O F F F F F IC50 = 980.0 nM 439.36 Cc1csc(-c2cc3ccc(OCc4c(F)c(F)c(F)c(F)c4F)cc3oc2=O)n1 Homo sapiens CHEMBL3887550 single protein format
CHEMBL3912774 OBDepict Cl N H + N O _ O IC50 = 980.0 nM 326.78 O=[N+]([O-])c1cccc(C2Nc3ccc(Cl)cc3C3C=CCC32)c1 Homo sapiens CHEMBL3887550 single protein format
CHEMBL4130135 OBDepict O N H HN H S O O H 3 C NH NH 2 IC50 = 990.0 nM 428.56 Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(C(=N)N)cc2)C2CCCCC2)cc1 Homo sapiens CHEMBL4122270 cell-based format
CHEMBL3403529 OBDepict O N N H N O HN H S O O HN NH 2 Ki = 1000.0 nM 598.73 N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)NCc3ccccc3)CC2)c1 Homo sapiens CHEMBL3404297 single protein format