HOME LIGAND hPROTEOME OTHERS DOCUMENT

P42785 | PCP_HUMAN | Lysosomal Pro-X carboxypeptidase (PRCP)

3D structures mapped by conservation among orthologs

[ Domain: "Dipeptidyl-peptidase 2 helical domain" // Peptidase_S28_2nd ]

download pymol session

[ Domain: "alpha/beta-Hydrolases" // Peptidase_S28_1st ]

download pymol session



[ 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
CHEMBL3910523 OBDepict CH 3 O O N N N N N F IC50 = 0.035 nM 485.56 COC(=O)C(CN1CCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)CC1)c1ccccc1 Homo sapiens CHEMBL3888627 single protein format
CHEMBL3919329 OBDepict Cl N N N N N IC50 = 0.051 nM 443.98 Clc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ncccn3)n2)cc1 Homo sapiens CHEMBL3888627 single protein format
CHEMBL3086040 OBDepict Br H H H N N H O O N F Cl IC50 = 0.079 nM 586.93 O=C(NC(c1ccc(Cl)cc1)c1ccnc(F)c1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 Homo sapiens CHEMBL3090540 single protein format
CHEMBL1950440 OBDepict Cl Cl N N H HN H 3 C H O HN H CH 3 H O H 2 N CH 3 CH 3 O F F F IC50 = 0.17 nM 574.43 C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)N)[C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 Homo sapiens CHEMBL1955693 single protein format
CHEMBL3652599 OBDepict Br H H H N N H O O N F F IC50 = 0.18 nM 570.48 O=C(NC(c1ccc(F)cc1)c1ccnc(F)c1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 Homo sapiens CHEMBL3705642 assay format
CHEMBL3086037 OBDepict Br H H H N N H O O N Cl IC50 = 0.18 nM 568.94 O=C(NC(c1ccncc1)c1ccc(Cl)cc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 Homo sapiens CHEMBL3090540 single protein format
CHEMBL2023210 OBDepict F F H N H N O H 3 C H 3 C CH 3 N N Cl F IC50 = 0.2 nM 545.05 CC(C)(C)N1C[C@@H](C(=O)N2CCC(c3ccnn3-c3ccc(F)c(Cl)c3)CC2)[C@H](c2ccc(F)cc2F)C1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL2022793 OBDepict F F H N H N O CH 3 CH 3 H 3 C N N CH 3 Cl Cl IC50 = 0.2 nM 575.53 Cc1cc(C2CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(Cl)c2)n1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL2022787 OBDepict F F H N H N O CH 3 CH 3 H 3 C N N CH 3 Cl CH 3 IC50 = 0.2 nM 555.11 Cc1cc(C2CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(C)c(Cl)c2)n1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL2023202 OBDepict F F H N H N O CH 3 CH 3 H 3 C N N CH 3 Cl Cl IC50 = 0.3 nM 575.53 Cc1cc(C2CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(Cl)ccc2Cl)n1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL1938522 OBDepict Cl N H O N N IC50 = 0.3 nM 433.98 O=C(CCN1CCC(c2ccccc2)CC1)NC(c1ccncc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL1942257 single protein format
CHEMBL3901469 OBDepict Cl N N N N N OH IC50 = 0.31 nM 459.98 OC(CN1CCC(c2cc(-c3ccc(Cl)cc3)nn2-c2ncccn2)CC1)c1ccccc1 Homo sapiens CHEMBL3888627 single protein format
CHEMBL1950444 OBDepict Cl Cl N N H HN H 3 C H O HN H CH 3 H O H 2 N CH 3 CH 3 IC50 = 0.37 nM 552.51 C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)N)[C@@H](C)c1ccc(-c2ccccc2)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 Homo sapiens CHEMBL1955693 single protein format
CHEMBL2031595 OBDepict F F H H H 3 C N N O H 3 C CH 3 N N Cl F IC50 = 0.4 nM 545.05 CN(C)[C@]1(C)C[C@H](C(=O)N2CCC(c3ccnn3-c3ccc(F)c(Cl)c3)CC2)[C@@H](c2ccc(F)cc2F)C1 Homo sapiens CHEMBL2034220 single protein format
CHEMBL2022794 OBDepict F F H N H N O CH 3 CH 3 H 3 C N N CH 3 Cl Cl IC50 = 0.4 nM 575.53 Cc1cc(C2CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)cc2Cl)n1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL1951465 OBDepict Cl N O N O F F F IC50 = 0.44 nM 474.91 FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cc(Cl)ccn2)c2ccccc23)cc1 Homo sapiens CHEMBL1953699 single protein format
CHEMBL1951476 OBDepict Cl N O N N CH 3 H 3 C O F F F IC50 = 0.49 nM 503.95 CC(C)(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)OC(c1cc(Cl)ccn1)c1cccnc12 Homo sapiens CHEMBL1953699 single protein format
CHEMBL2023209 OBDepict F F H N H N O CH 3 CH 3 H 3 C N N CH 3 Cl F IC50 = 0.5 nM 559.08 Cc1cc(C2CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(Cl)c2)n1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL2023207 OBDepict F F H N H N O CH 3 CH 3 H 3 C N N CH 3 F Cl IC50 = 0.5 nM 559.08 Cc1cc(C2CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)cc2F)n1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL3932961 OBDepict OH O N N N N N F IC50 = 0.51 nM 471.54 O=C(O)C(CN1CCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)CC1)c1ccccc1 Homo sapiens CHEMBL3888627 single protein format
CHEMBL3085780 OBDepict Br H H H N N H O O N F IC50 = 0.6 nM 552.49 O=C(NC(c1ccncc1)c1ccc(F)cc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 Homo sapiens CHEMBL3090540 single protein format
CHEMBL1938510 OBDepict Cl N H O N NH H CH 3 H O H 2 N H 3 C CH 3 IC50 = 0.6 nM 541.1 C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)N)C(=O)NC(c1ccncc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL1942257 single protein format
CHEMBL3086036 OBDepict O N H H H F F H N Br O IC50 = 0.66 nM 569.49 O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 Homo sapiens CHEMBL3090540 single protein format
CHEMBL3677679 OBDepict Cl N N H N N N IC50 = 0.7 nM 443.98 Clc1ccc(-c2nc(-c3ncccn3)c(C3CCN(CCc4ccccc4)CC3)[nH]2)cc1 Homo sapiens CHEMBL3706202 single protein format
CHEMBL2022786 OBDepict F F H N H N O CH 3 CH 3 H 3 C N N CH 3 CH 3 Cl IC50 = 0.7 nM 555.11 Cc1cc(C2CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)cc2C)n1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL1951474 OBDepict F N N CH 3 O Cl Cl IC50 = 0.73 nM 457.38 CC(c1ccc(F)cn1)N1CCC2(CC1)OC(c1cc(Cl)cc(Cl)c1)c1ccccc12 Homo sapiens CHEMBL1953699 single protein format
CHEMBL1950439 OBDepict Cl Cl N N H HN H 3 C H O HN H CH 3 H O HO CH 3 CH 3 O F F F IC50 = 0.74 nM 575.42 C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)O)[C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 Homo sapiens CHEMBL1955693 single protein format
CHEMBL3677678 OBDepict F O N N N N IC50 = 0.78 nM 428.51 Fc1ccc(-c2nc(-c3ncccn3)c(C3CCN(CCc4ccccc4)CC3)o2)cc1 Homo sapiens CHEMBL3706202 single protein format
CHEMBL1951478 OBDepict Cl + N _ O O N S O O N F F F IC50 = 0.78 nM 525.94 O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC2(CC1)OC(c1cc(Cl)cc[n+]1[O-])c1ccccc12 Homo sapiens CHEMBL1953699 single protein format
CHEMBL3655577 OBDepict F F H H H 3 C N N O H 3 C CH 3 N N CH 3 Cl Cl IC50 = 0.8 nM 575.53 Cc1cc(C2CCN(C(=O)[C@@H]3C[C@@](C)(N(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(Cl)c2)n1 Homo sapiens CHEMBL3705092 single protein format
CHEMBL2031596 OBDepict F F H H H 3 C N N O H 3 C CH 3 N N Cl F IC50 = 0.8 nM 545.05 CN(C)[C@@]1(C)C[C@H](C(=O)N2CCC(c3ccnn3-c3ccc(F)c(Cl)c3)CC2)[C@@H](c2ccc(F)cc2F)C1 Homo sapiens CHEMBL2034220 single protein format
CHEMBL2031590 OBDepict F F H H H 3 C N N O H 3 C CH 3 N N CH 3 Cl F IC50 = 0.9 nM 559.08 Cc1cc(C2CCN(C(=O)[C@@H]3C[C@@](C)(N(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(Cl)c2)n1 Homo sapiens CHEMBL2034220 single protein format
CHEMBL2031588 OBDepict F F H H H 3 C N N O H 3 C CH 3 N N CH 3 Cl Cl IC50 = 0.9 nM 575.53 Cc1cc(C2CCN(C(=O)[C@@H]3C[C@@](C)(N(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(Cl)ccc2Cl)n1 Homo sapiens CHEMBL2034220 single protein format
CHEMBL2024198 OBDepict F F H N H N O CH 3 CH 3 H 3 C N N N CH 3 H 3 C Cl IC50 = 0.9 nM 556.1 Cc1nc(C2CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL1938502 OBDepict Cl N H CH 3 H O N H H CH 3 H O H 2 N H 3 C CH 3 IC50 = 0.9 nM 478.04 C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)N)[C@@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL1942257 single protein format
CHEMBL3086041 OBDepict Br H H H N N H O O N F Cl IC50 = 0.95 nM 586.93 O=C(NC(c1ccc(Cl)cc1)c1ccc(F)cn1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 Homo sapiens CHEMBL3090540 single protein format
CHEMBL1951470 OBDepict F N N CH 3 O N Cl IC50 = 1.0 nM 423.92 CC(c1ccc(F)cn1)N1CCC2(CC1)OC(c1cc(Cl)ccn1)c1ccccc12 Homo sapiens CHEMBL1953699 single protein format
CHEMBL2023211 OBDepict F F H N H N O CH 3 CH 3 H 3 C N N CH 3 F Cl IC50 = 1.0 nM 559.08 Cc1cc(C2CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(Cl)ccc2F)n1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL1259194 OBDepict Cl Cl N N H H N O NH H CH 3 H O H 2 N H 3 C CH 3 IC50 = 1.0 nM 578.54 C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)N)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 Homo sapiens CHEMBL1261609 single protein format
CHEMBL2022785 OBDepict F F H N H N O CH 3 CH 3 H 3 C N N CH 3 H 3 C Cl IC50 = 1.0 nM 555.11 Cc1cc(C2CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL2022789 OBDepict Cl N N CH 3 N O H N H CH 3 CH 3 H 3 C F F IC50 = 1.0 nM 541.09 Cc1cc(C2CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)cc2)n1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL1950443 OBDepict Cl Cl N N H N H CH 3 H O N H H H 2 N H 3 C CH 3 IC50 = 1.0 nM 524.5 C[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NCC(C)(C)N)c1nc2cc(Cl)c(Cl)cc2[nH]1 Homo sapiens CHEMBL1955693 single protein format
CHEMBL2031580 OBDepict F F H H H 3 C N N O H 3 C CH 3 N N N CH 3 H 3 C Cl IC50 = 1.1 nM 556.1 Cc1nc(C2CCN(C(=O)[C@@H]3C[C@@](C)(N(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 Homo sapiens CHEMBL2034220 single protein format
CHEMBL1938523 OBDepict Cl NH H 3 C O N N IC50 = 1.2 nM 448.01 CC(NC(=O)CCN1CCC(c2ccccc2)CC1)(c1ccncc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL1942257 single protein format
CHEMBL3086029 OBDepict Br H H H N N O O IC50 = 1.2 nM 559.55 O=C([C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1)N1CC(c2ccccc2)(c2ccccc2)C1 Homo sapiens CHEMBL3090540 single protein format
CHEMBL1951468 OBDepict Cl + N _ O O N O F F F IC50 = 1.2 nM 490.91 [O-][n+]1ccc(Cl)cc1C1OC2(CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c2ccccc21 Homo sapiens CHEMBL1953699 single protein format
CHEMBL3912879 OBDepict F N N N N N O F F F IC50 = 1.28 nM 509.51 O=C(Cc1ccccc1C(F)(F)F)N1CCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)CC1 Homo sapiens CHEMBL3888627 single protein format
CHEMBL1684306 OBDepict Cl Cl N N H H N O N N N H 3 C N IC50 = 1.4 nM 552.51 Cn1nc(C2CCN(CCC(=O)N3CCC[C@H]3c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)cc1-c1ccncc1 Homo sapiens CHEMBL1687133 single protein format
CHEMBL1938519 OBDepict O NH N F F F Cl IC50 = 1.4 nM 424.89 O=C(CCN1CCC(c2ccccc2)CC1)NC(c1ccc(Cl)cc1)C(F)(F)F Homo sapiens CHEMBL1942257 single protein format
CHEMBL3652602 OBDepict F N H O N H H H N O IC50 = 1.4 nM 473.59 O=C(NC(c1ccncc1)c1ccc(F)cc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccccc1 Homo sapiens CHEMBL3705642 assay format
CHEMBL2023208 OBDepict F F H N H N O CH 3 CH 3 H 3 C N N CH 3 F Cl IC50 = 1.4 nM 559.08 Cc1cc(C2CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(F)c2)n1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL1938516 OBDepict O HN H N H 3 C CH 3 Cl IC50 = 1.5 nM 398.98 CC(C)[C@H](NC(=O)CCN1CCC(c2ccccc2)CC1)c1ccc(Cl)cc1 Homo sapiens CHEMBL1942257 single protein format
CHEMBL2031582 OBDepict F F H H H 3 C N N O H 3 C CH 3 N N N CH 3 Cl Cl IC50 = 1.6 nM 576.52 Cc1nc(C2CCN(C(=O)[C@@H]3C[C@@](C)(N(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(Cl)ccc2Cl)n1 Homo sapiens CHEMBL2034220 single protein format
CHEMBL1951471 OBDepict Cl Cl O N N S O O O F F F IC50 = 1.6 nM 559.39 O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)OC(c1cc(Cl)cc(Cl)c1)c1cccnc12 Homo sapiens CHEMBL1953699 single protein format
CHEMBL1684297 OBDepict Cl Cl N N H H N O N O N N N IC50 = 1.7 nM 540.46 O=C(CCN1CCC(c2nc(-c3ccncc3)no2)CC1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 Homo sapiens CHEMBL1687133 single protein format
CHEMBL3652600 OBDepict F N H O H F H H N F O IC50 = 1.7 nM 508.58 O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccccc1F Homo sapiens CHEMBL3705642 assay format
CHEMBL1938508 OBDepict Cl N H F F F O HN H H 3 C H O NH 2 CH 3 CH 3 IC50 = 1.7 nM 532.01 C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)N)C(=O)NC(c1ccc(Cl)cc1)C(F)(F)F Homo sapiens CHEMBL1942257 single protein format
CHEMBL1951473 OBDepict F N N CH 3 O N Cl Cl IC50 = 1.9 nM 458.36 CC(c1ccc(F)cn1)N1CCC2(CC1)OC(c1cc(Cl)cc(Cl)c1)c1cccnc12 Homo sapiens CHEMBL1953699 single protein format
CHEMBL1951456 OBDepict Cl Cl O N O F F F IC50 = 1.9 nM 508.37 FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cc(Cl)cc(Cl)c2)c2ccccc23)cc1 Homo sapiens CHEMBL1953699 single protein format
CHEMBL2031584 OBDepict F F H H H 3 C N N O H 3 C CH 3 N N N CH 3 Cl F IC50 = 2.0 nM 560.06 Cc1nc(C2CCN(C(=O)[C@@H]3C[C@@](C)(N(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(Cl)c2)n1 Homo sapiens CHEMBL2034220 single protein format
CHEMBL2031597 OBDepict F F H H H 3 C H 2 N N O N N Cl F IC50 = 2.0 nM 517.0 C[C@@]1(N)C[C@H](C(=O)N2CCC(c3ccnn3-c3ccc(F)c(Cl)c3)CC2)[C@@H](c2ccc(F)cc2F)C1 Homo sapiens CHEMBL2034220 single protein format
CHEMBL1259208 OBDepict F CH 3 H N H H N O O H OH CH 3 H 3 C N N H Cl Cl IC50 = 2.0 nM 597.52 C[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](NC(=O)C(C)(C)O)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 Homo sapiens CHEMBL1261609 single protein format
CHEMBL1938524 OBDepict O NH N N CH 3 Cl IC50 = 2.1 nM 448.01 Cc1cc(C(NC(=O)CCN2CCC(c3ccccc3)CC2)c2ccc(Cl)cc2)ccn1 Homo sapiens CHEMBL1942257 single protein format
CHEMBL3652597 OBDepict O HN H H F F F H N Br Cl O IC50 = 2.1 nM 559.85 O=C(NC(c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 Homo sapiens CHEMBL3705642 assay format
CHEMBL3086038 OBDepict Br H H H N N H O O N CH 3 Cl IC50 = 2.2 nM 582.97 Cc1cc(C(NC(=O)[C@@H]2CC[C@@H](N3CCOCC3)C[C@H]2c2ccc(Br)cc2)c2ccc(Cl)cc2)ccn1 Homo sapiens CHEMBL3090540 single protein format
CHEMBL3677681 OBDepict F S N N N IC50 = 2.4 nM 443.59 Fc1ccc(-c2nc(-c3ccccn3)c(C3CCN(CCc4ccccc4)CC3)s2)cc1 Homo sapiens CHEMBL3706202 single protein format
CHEMBL1938509 OBDepict Cl NH O N H 2 N H CH 3 H IC50 = 2.5 nM 455.99 C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](N)C(=O)NC(c1ccncc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL1942257 single protein format
CHEMBL3086048 OBDepict O N H H H H N Br O IC50 = 2.5 nM 533.51 O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 Homo sapiens CHEMBL3090540 single protein format
CHEMBL2024197 OBDepict F F H N H H N O N N Cl F IC50 = 2.5 nM 488.94 O=C([C@@H]1CNC[C@H]1c1ccc(F)cc1F)N1CCC(c2ccnn2-c2ccc(F)c(Cl)c2)CC1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL3941702 OBDepict H 3 C O H N N N N N N F IC50 = 2.58 nM 458.54 CO[C@@H](CN1CCC(c2nc(-c3ccc(F)cc3)nn2-c2ncccn2)CC1)c1ccccc1 Homo sapiens CHEMBL3888627 single protein format
CHEMBL1950445 OBDepict Cl Cl N N H NH H 3 C H O NH 2 H CH 3 H IC50 = 2.6 nM 467.4 C[C@H](NC(=O)[C@@H](N)[C@@H](C)c1ccc(-c2ccccc2)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 Homo sapiens CHEMBL1955693 single protein format
CHEMBL1938496 OBDepict Cl NH O N N O N N N IC50 = 2.7 nM 503.01 O=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)NC(c1ccncc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL1942257 single protein format
CHEMBL2031589 OBDepict F F H H H 3 C NH 2 N O N N CH 3 Cl Cl IC50 = 2.7 nM 547.48 Cc1cc(C2CCN(C(=O)[C@@H]3C[C@@](C)(N)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(Cl)ccc2Cl)n1 Homo sapiens CHEMBL2034220 single protein format
CHEMBL2023205 OBDepict F F H N H N O CH 3 CH 3 H 3 C N N CH 3 F F IC50 = 2.8 nM 542.62 Cc1cc(C2CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(F)c2)n1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL1938527 OBDepict O NH H 3 C N IC50 = 2.8 nM 412.58 CC(NC(=O)CCN1CCC(c2ccccc2)CC1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL1942257 single protein format
CHEMBL3652601 OBDepict N H H H N N H O F F O IC50 = 2.9 nM 515.6 N#Cc1ccc([C@@H]2C[C@H](N3CCOCC3)CC[C@H]2C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Homo sapiens CHEMBL3705642 assay format
CHEMBL1259149 OBDepict NH 2 CH 3 CH 3 NH O H N O H N N H Cl Cl IC50 = 3.0 nM 578.54 CC(C)(CN)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 Homo sapiens CHEMBL1261609 single protein format
CHEMBL3086034 OBDepict O N H H H H 3 C H H N Br Cl O IC50 = 3.0 nM 505.88 C[C@H](NC(=O)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL3090540 single protein format
CHEMBL1951461 OBDepict Cl Cl O N N O F F F IC50 = 3.2 nM 509.36 FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cc(Cl)cc(Cl)c2)c2cccnc23)cc1 Homo sapiens CHEMBL1953699 single protein format
CHEMBL1938518 OBDepict O NH N F F Cl IC50 = 3.2 nM 406.9 O=C(CCN1CCC(c2ccccc2)CC1)NC(c1ccc(Cl)cc1)C(F)F Homo sapiens CHEMBL1942257 single protein format
CHEMBL1951458 OBDepict Cl Cl O N N F F F IC50 = 3.2 nM 493.36 FC(F)(F)c1ccc(CN2CCC3(CC2)OC(c2cc(Cl)cc(Cl)c2)c2ccccc23)nc1 Homo sapiens CHEMBL1953699 single protein format
CHEMBL3237393 OBDepict OH O F F F F N N CH 3 N N IC50 = 3.3 nM 554.59 Cn1nc(-c2ccc(F)cc2)cc1C1(c2ccccn2)CCN(CCc2ccccc2)CC1.O=C(O)C(F)(F)F Homo sapiens CHEMBL3239289 single protein format
CHEMBL1951462 OBDepict Cl Cl O N N O F F F IC50 = 3.4 nM 509.36 FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cc(Cl)cc(Cl)c2)c2ccncc23)cc1 Homo sapiens CHEMBL1953699 single protein format
CHEMBL3237377 OBDepict OH O F F F F H N H N H N Cl IC50 = 3.5 nM 574.02 Fc1ccc([C@@H]2CN(CCc3ccccc3)CC[C@H]2c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1.O=C(O)C(F)(F)F Homo sapiens CHEMBL3239289 single protein format
CHEMBL1684300 OBDepict Cl Cl N N H H N O N O N N N IC50 = 3.7 nM 590.52 O=C(CCN1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 Homo sapiens CHEMBL1687133 single protein format
CHEMBL1938521 OBDepict F N H O N N IC50 = 3.8 nM 417.53 O=C(CCN1CCC(c2ccccc2)CC1)NC(c1ccncc1)c1ccc(F)cc1 Homo sapiens CHEMBL1942257 single protein format
CHEMBL1938506 OBDepict Cl N H F F O N H H H 3 C H O H 2 N CH 3 CH 3 IC50 = 3.8 nM 514.02 C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)N)C(=O)NC(c1ccc(Cl)cc1)C(F)F Homo sapiens CHEMBL1942257 single protein format
CHEMBL1259118 OBDepict Cl Cl N N H H N O NH H O H 2 N CH 3 CH 3 IC50 = 4.0 nM 564.52 CC(C)(N)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 Homo sapiens CHEMBL1261609 single protein format
CHEMBL1259179 OBDepict O N NH H H O N N HO H 3 C CH 3 H CH 3 CH 3 CH 3 IC50 = 4.0 nM 502.66 CC(C)(O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1c1ncc(C(C)(C)C)[nH]1 Homo sapiens CHEMBL1261609 single protein format
CHEMBL2023206 OBDepict F F N N H 3 C N O H N H H 3 C H 3 C CH 3 F F IC50 = 4.3 nM 542.62 Cc1cc(C2CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)cc2F)n1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL3677680 OBDepict H N N H N N H IC50 = 4.4 nM 484.65 c1ccc(CCN2C[C@H](c3[nH]c(-c4ccccc4)nc3-c3ccccn3)CC[C@H]2c2ccccc2)cc1 Homo sapiens CHEMBL3706202 single protein format
CHEMBL1951463 OBDepict Cl Cl O N N O F F F IC50 = 4.5 nM 509.36 FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cc(Cl)cc(Cl)c2)c2cnccc23)cc1 Homo sapiens CHEMBL1953699 single protein format
CHEMBL3086042 OBDepict O N H H H N H N N Br Cl O IC50 = 4.6 nM 569.93 O=C(NC(c1ccc(Cl)cc1)c1cnccn1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 Homo sapiens CHEMBL3090540 single protein format
CHEMBL1684305 OBDepict CH 3 N N N N N O H N N H Cl Cl IC50 = 4.7 nM 566.54 CCn1nc(-c2ccncc2)cc1C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 Homo sapiens CHEMBL1687133 single protein format
CHEMBL2024195 OBDepict F F H N H H N O N N CH 3 Cl Cl IC50 = 4.9 nM 519.42 Cc1cc(C2CCN(C(=O)[C@@H]3CNC[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(Cl)ccc2Cl)n1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL2024199 OBDepict F F H N H N O CH 3 CH 3 H 3 C N N N CH 3 H 3 C Cl IC50 = 4.9 nM 556.1 Cc1nc(C2CCN(C(=O)[C@H]3CN(C(C)(C)C)C[C@@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 Homo sapiens CHEMBL2026494 single protein format
CHEMBL1950309 OBDepict F N N NH O H 3 C H N N H Cl Cl IC50 = 5.0 nM 464.37 C[C@H](NC(=O)CCN1CCN(c2cccc(F)c2)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 Homo sapiens CHEMBL1955693 single protein format
CHEMBL1259207 OBDepict Cl Cl N N H H N O NH H CH 3 H O H 2 N H 3 C CH 3 IC50 = 5.0 nM 502.45 C[C@@H](c1ccccc1)[C@H](NC(=O)C(C)(C)N)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 Homo sapiens CHEMBL1261609 single protein format
CHEMBL1259162 OBDepict O NH H NH 2 CH 3 CH 3 N O H N N H Cl Cl IC50 = 5.0 nM 578.54 CC(C)(N)CC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 Homo sapiens CHEMBL1261609 single protein format
CHEMBL1938520 OBDepict O HN Cl Cl N IC50 = 5.2 nM 467.44 O=C(CCN1CCC(c2ccccc2)CC1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL1942257 single protein format