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P53634 | CATC_HUMAN | Dipeptidyl peptidase 1 (CTSC)

3D structures mapped by conservation among orthologs

[ Domain: "Cysteine proteinases" // Peptidase_C1 ]

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[ Domain: "Dipeptidyl peptidase I (cathepsin C), exclusion domain" // CathepsinC_exc ]

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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
CHEMBL515494 OBDepict OH O F F F N NH H O NH 2 S F IC50 = 0.0 nM 443.42 N#C[C@@]1(NC(=O)C(N)Cc2sccc2F)C[C@@H]1c1ccccc1.O=C(O)C(F)(F)F Homo sapiens CHEMBL1004868 single protein format
CHEMBL1079888 OBDepict N N H H S O NH 2 H S IC50 = 0.3 nM 381.53 N#C[C@H](Cc1ccc(-c2ccccc2)s1)NC(=O)[C@@H](N)Cc1cccs1 Homo sapiens CHEMBL1113170 single protein format
CHEMBL3662670 OBDepict N HN H O F H N H H H H 3 C CH 3 O O IC50 = 0.6 nM 447.51 CC1(C)OC(=O)c2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cc21 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662518 OBDepict N HN H O F H N H H H O O IC50 = 0.7 nM 419.46 N#C[C@H](Cc1ccc(-c2ccc3c(c2)COC3=O)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL1081695 OBDepict N NH H O N S H 2 N H S IC50 = 0.7 nM 356.48 N#C[C@H](Cc1nc2ccccc2s1)NC(=O)[C@@H](N)Cc1cccs1 Homo sapiens CHEMBL1113170 single protein format
CHEMBL3667275 OBDepict N HN H O F H N H H H S N O N CH 3 IC50 = 0.8 nM 495.62 CN1CCN(C(=O)c2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cs2)CC1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662669 OBDepict N HN H O F H NH H H S N O O N CH 3 IC50 = 0.8 nM 525.65 CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cc2)CC1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667372 OBDepict N NH H O F H HN H O N H H F IC50 = 0.8 nM 422.44 N#C[C@H](Cc1cc2c(=O)[nH]c3cc(F)ccc3c2cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667371 OBDepict N NH H O F H HN H O N H H IC50 = 0.8 nM 404.45 N#C[C@H](Cc1cc2c(=O)[nH]c3ccccc3c2cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3657578 OBDepict N HN H S O H NH H H O O Ki = 0.9 nM 407.5 N#C[C@H](Cc1ccc(-c2ccc3c(c2)COC3=O)s1)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705867 single protein format
CHEMBL3667341 OBDepict N N H O F H HN H O N H H N IC50 = 0.9 nM 429.46 N#Cc1ccc2c(c1)[nH]c(=O)c1cc(CC(C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)cc12 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667276 OBDepict N NH H O F H NH H H S N O N N IC50 = 0.9 nM 518.62 N#C[C@H](Cc1ccc(-c2csc(C(=O)N3CCn4nccc4C3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662671 OBDepict N HN H O F H N H H H S O NH 2 IC50 = 0.9 nM 412.49 N#C[C@H](Cc1ccc(-c2csc(C(N)=O)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL1080780 OBDepict N N H H O H 2 N H S IC50 = 0.9 nM 299.4 N#C[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cccs1 Homo sapiens CHEMBL1113170 single protein format
CHEMBL1081694 OBDepict N N H H O NH 2 H S IC50 = 1.0 nM 349.46 N#C[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)Cc1cccs1 Homo sapiens CHEMBL1113170 single protein format
CHEMBL450997 OBDepict NH 2 NH O H O + N _ N I IC50 = 1.0 nM 372.17 [N-]=[N+]=CC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)CN Homo sapiens CHEMBL1004868 single protein format
CHEMBL3667373 OBDepict N NH H O F H N H H O N H H F F IC50 = 1.0 nM 440.43 N#C[C@H](Cc1cc2c(=O)[nH]c3c(F)c(F)ccc3c2cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667394 OBDepict N HN H O F H NH H H N O N CH 3 IC50 = 1.0 nM 515.63 CN1CCC(N2C(=O)Cc3ccc(-c4ccc(C[C@@H](C#N)NC(=O)[C@H]5N[C@@H]6CC[C@H]5C6)c(F)c4)cc32)CC1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667328 OBDepict N HN H O H NH F H H N O N H 3 C CH 3 IC50 = 1.0 nM 489.6 CN(C)CCN1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cc21 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667277 OBDepict N HN H O F H N H H H S N O N H 3 C CH 3 IC50 = 1.0 nM 523.68 CC(C)N1CCN(C(=O)c2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cs2)CC1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667274 OBDepict N NH H O F H N H H H S N O O N H 3 C IC50 = 1.2 nM 525.65 CN1CCN(S(=O)(=O)c2cccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)c2)CC1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667374 OBDepict N HN H O F H NH H O N H H F N IC50 = 1.3 nM 447.45 N#Cc1cc(F)c2[nH]c(=O)c3cc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)cc3c2c1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667387 OBDepict N NH H O F H N H H H S F N O O N CH 3 IC50 = 1.3 nM 543.64 CN1CCN(S(=O)(=O)c2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)ccc2F)CC1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667342 OBDepict N N H O F H HN H O N H H F IC50 = 1.3 nM 422.44 N#CC(Cc1cc2c(=O)[nH]c3cc(F)ccc3c2cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667390 OBDepict N NH H O F H N H H H N O N H 3 C CH 3 IC50 = 1.3 nM 451.55 CN(C)CCn1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)ccc1=O Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662519 OBDepict N NH H O F H N H H H S O O CH 3 IC50 = 1.4 nM 441.53 CS(=O)(=O)c1cccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)c1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662525 OBDepict N NH H O H HN F H H N H 3 C O O IC50 = 1.5 nM 446.48 CN1C(=O)C(=O)c2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cc21 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662672 OBDepict H 3 C O N O F N H H N O H N H H H IC50 = 1.5 nM 476.55 COCCN1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cc21 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667278 OBDepict H 3 C O N N O S F NH H N O H HN H H IC50 = 1.6 nM 539.68 COCCN1CCN(C(=O)c2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cs2)CC1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667343 OBDepict N N H O F H HN H O N H H IC50 = 1.6 nM 404.45 N#CC(Cc1cc2c(=O)[nH]c3ccccc3c2cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662673 OBDepict N HN H O F H NH H H S N O O CH 3 IC50 = 1.6 nM 466.54 CS(=O)(=O)c1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cc1C#N Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667286 OBDepict N HN H O F H N H H H S O NH 2 IC50 = 1.6 nM 412.49 N#C[C@H](Cc1ccc(-c2ccc(C(N)=O)s2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL1078066 OBDepict N N H H O H NH S CH 3 IC50 = 1.7 nM 365.5 CS[C@]1(c2ccccc2)CN[C@H](C(=O)N[C@H](C#N)Cc2ccccc2)C1 Homo sapiens CHEMBL1113170 single protein format
CHEMBL3662526 OBDepict N N H O F H N H H H O O IC50 = 1.7 nM 419.46 N#CC(Cc1ccc(-c2ccc3c(c2)COC3=O)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662674 OBDepict N HN H O F H N H H H N H 3 C N CH 3 IC50 = 1.7 nM 381.46 Cc1nn(C)cc1-c1ccc(C[C@@H](C#N)NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)c(F)c1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667279 OBDepict N HN H O F H N H H H S N O N IC50 = 1.7 nM 521.66 N#C[C@H](Cc1ccc(-c2csc(C(=O)N3CCN(C4CC4)CC3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667388 OBDepict N N H H O H HN F H H S N O O N H 3 C IC50 = 1.8 nM 539.68 CN1CCCN(S(=O)(=O)c2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cc2)CC1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667280 OBDepict N NH H O H N H F H H S N O O IC50 = 1.8 nM 482.58 N#C[C@H](Cc1ccc(-c2csc(C(=O)N3CCOCC3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662675 OBDepict N HN H O F H N H H H S N H O CH 3 IC50 = 1.9 nM 426.52 CNC(=O)c1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cs1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662527 OBDepict N HN H O F H HN H H F S O O CH 3 IC50 = 1.9 nM 459.52 CS(=O)(=O)c1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cc1F Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662528 OBDepict N HN H O F H N H H H N N O O H 3 C IC50 = 1.9 nM 425.46 COC(=O)Cn1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cn1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667375 OBDepict N NH H O F H N H H O N H CH 3 IC50 = 1.9 nM 418.47 Cn1c(=O)c2cc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)cc2c2ccccc21 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662522 OBDepict N N H O F H NH H H N N H 3 C O CH 3 IC50 = 1.9 nM 409.47 CC(=O)n1nc(-c2ccc(CC(C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cc1C Homo sapiens CHEMBL3705813 single protein format
CHEMBL3658569 OBDepict N NH H O H N H H H O O IC50 = 2.0 nM 401.47 N#C[C@H](Cc1ccc(-c2ccc3c(c2)COC3=O)cc1)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705764 single protein format
CHEMBL3662530 OBDepict N N H O F H NH H H N H 3 C O IC50 = 2.0 nM 432.5 CN1C(=O)Cc2ccc(-c3ccc(CC(C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cc21 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662676 OBDepict N HN H O F H N H H H O N IC50 = 2.0 nM 378.41 N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)o1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667304 OBDepict N NH H O F H N H H H N CH 3 O IC50 = 2.0 nM 394.45 Cn1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)ccc1=O Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662517 OBDepict N NH H O F H N H H H N H 3 C O IC50 = 2.0 nM 432.5 CN1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cc21 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662529 OBDepict N NH H O F H N H H H S O O CH 3 N IC50 = 2.0 nM 466.54 CS(=O)(=O)c1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)ccc1C#N Homo sapiens CHEMBL3705813 single protein format
CHEMBL3657563 OBDepict N NH H O S H HN H H N H 3 C O O Ki = 2.1 nM 434.52 CN1C(=O)C(=O)c2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)s3)cc21 Homo sapiens CHEMBL3705867 single protein format
CHEMBL3662677 OBDepict N HN H O F H N H H H N N CH 3 IC50 = 2.1 nM 367.43 Cn1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cn1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667344 OBDepict N N H O F H HN H O N H H F IC50 = 2.1 nM 422.44 N#CC(Cc1cc2c(=O)[nH]c3ccc(F)cc3c2cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662666 OBDepict N NH H O F H N H H H S F O O CH 3 IC50 = 2.1 nM 459.52 CS(=O)(=O)c1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)ccc1F Homo sapiens CHEMBL3705813 single protein format
CHEMBL3657581 OBDepict N N H S O F H NH H H N H 3 C O Ki = 2.2 nM 438.53 CN1C(=O)Cc2ccc(-c3cc(F)c(CC(C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)s3)cc21 Homo sapiens CHEMBL3705867 single protein format
CHEMBL3667281 OBDepict N HN H O F H N H H H S N O N O CH 3 IC50 = 2.2 nM 523.63 CC(=O)N1CCN(C(=O)c2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cs2)CC1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667282 OBDepict N NH H O F H NH H H S N O N F F F IC50 = 2.2 nM 563.62 N#C[C@H](Cc1ccc(-c2csc(C(=O)N3CCN(CC(F)(F)F)CC3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667283 OBDepict N HN H O F H NH H H S N O N O CH 3 IC50 = 2.2 nM 509.61 CN1CCN(C(=O)c2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cs2)CC1=O Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667272 OBDepict N HN H O F H NH H H S N O H 3 C N IC50 = 2.2 nM 465.55 CS(=O)(=NC#N)c1cccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)c1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3702591 OBDepict N HN H O F N H H 3 C CH 3 O O IC50 = 2.2 nM 461.54 CC1(C)OC(=O)c2ccc(-c3ccc(C[C@@H](C#N)NC(=O)C45CCC(CC4)CN5)c(F)c3)cc21 Homo sapiens CHEMBL3707949 single protein format
CHEMBL3639615 OBDepict CH 3 N H O S F N H H N O H N H H H IC50 = 2.3 nM 454.57 CCCNC(=O)c1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cs1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667337 OBDepict N NH H O H N H F H H O N O O IC50 = 2.3 nM 466.51 N#C[C@H](Cc1ccc(-c2ccc(C(=O)N3CCOCC3)o2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667338 OBDepict N HN H O F H NH H H O N O N CH 3 IC50 = 2.5 nM 479.56 CN1CCN(C(=O)c2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)o2)CC1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662532 OBDepict N HN H O F H N H H H S O O CH 3 IC50 = 2.6 nM 427.5 COC(=O)c1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cs1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662531 OBDepict N HN H O F H HN H H S O O CH 3 IC50 = 2.6 nM 441.53 CS(=O)(=O)c1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cc1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662678 OBDepict N NH H O F H NH H H S N O IC50 = 2.7 nM 466.58 N#C[C@H](Cc1ccc(-c2csc(C(=O)N3CCCC3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662533 OBDepict N HN H O F H N H H H S IC50 = 2.7 nM 369.47 N#C[C@H](Cc1ccc(-c2ccsc2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662534 OBDepict N N H O F H HN H H S O O H 3 C N IC50 = 2.8 nM 466.54 CS(=O)(=O)c1cc(-c2ccc(CC(C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)ccc1C#N Homo sapiens CHEMBL3705813 single protein format
CHEMBL3657582 OBDepict N HN H S O H NH H H S N O O N CH 3 Ki = 2.9 nM 513.69 CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)s3)cc2)CC1 Homo sapiens CHEMBL3705867 single protein format
CHEMBL3261926 OBDepict H N H N O H 2 N O N IC50 = 2.9 nM 374.44 N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)C3(N)CCOCC3)cc2)cc1 Homo sapiens CHEMBL4398559 single protein format
CHEMBL3667345 OBDepict N N H O H HN H H O N H F F F IC50 = 2.9 nM 440.43 N#CC(Cc1ccc2c(c1)c(=O)[nH]c1c(F)c(F)c(F)cc12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3658588 OBDepict N NH H O H HN H H N H 3 C O O IC50 = 3.0 nM 428.49 CN1C(=O)C(=O)c2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)cc3)cc21 Homo sapiens CHEMBL3705764 single protein format
CHEMBL3667327 OBDepict N HN H O F H N H H H N O N H 3 C CH 3 IC50 = 3.0 nM 503.62 CN(C)CCCN1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cc21 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662535 OBDepict N NH H O F H N H H H N N O CH 3 IC50 = 3.1 nM 395.44 CC(=O)n1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cn1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662536 OBDepict N NH H O H N H F H H N N O IC50 = 3.1 nM 437.52 N#C[C@H](Cc1ccc(-c2cnn(CC3CCOC3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3657562 OBDepict N NH H S O H NH H H N CH 3 O Ki = 3.2 nM 420.54 CN1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)s3)cc21 Homo sapiens CHEMBL3705867 single protein format
CHEMBL3667348 OBDepict N N H O H HN H O N H H O O CH 3 IC50 = 3.2 nM 444.49 COC(=O)c1ccc2[nH]c(=O)c3cc(CC(C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)ccc3c2c1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667347 OBDepict N N H O H HN H O N H H N IC50 = 3.2 nM 411.47 N#Cc1ccc2[nH]c(=O)c3cc(CC(C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)ccc3c2c1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667346 OBDepict N N H O H HN H O N H H Cl IC50 = 3.2 nM 420.9 N#CC(Cc1ccc2c(c1)c(=O)[nH]c1cc(Cl)ccc12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3658478 OBDepict H 3 C O N O O HN H N O H N H H H IC50 = 3.2 nM 474.56 COCCCn1c(=O)oc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)cc3)cc21 Homo sapiens CHEMBL3705764 single protein format
CHEMBL3662679 OBDepict N HN H O F H N H H H O O CH 3 CH 3 IC50 = 3.3 nM 447.51 CC1(C)OC(=O)c2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)ccc21 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662537 OBDepict N N H O F H N H H H N H O IC50 = 3.3 nM 418.47 N#CC(Cc1ccc(-c2ccc3c(c2)NC(=O)C3)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3639661 OBDepict N NH H O F H HN H H N O IC50 = 3.3 nM 424.52 N#C[C@H](Cc1ccc(C2=CCN3CCOCC3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662680 OBDepict N HN H O F H N H H H O O NH 2 IC50 = 3.4 nM 396.42 N#C[C@H](Cc1ccc(-c2ccc(C(N)=O)o2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667376 OBDepict N NH H O F H N H H N H HN IC50 = 3.4 nM 383.47 N#C[C@H](Cc1ccc(N2CC3(CNC3)C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667289 OBDepict N HN H O F H N H H H O O NH 2 IC50 = 3.4 nM 396.42 N#C[C@H](Cc1ccc(-c2cc(C(N)=O)co2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667310 OBDepict N NH H O H N H F H H N N H O IC50 = 3.5 nM 437.52 N#C[C@H](Cc1ccc(-c2cnn(C[C@H]3CCCO3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3657580 OBDepict N N H S O F H NH Br H H N H 3 C O Ki = 3.6 nM 517.42 CN1C(=O)Cc2ccc(-c3sc(CC(C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3Br)cc21 Homo sapiens CHEMBL3705867 single protein format
CHEMBL3662681 OBDepict N HN H O F H N H H H N N N IC50 = 3.7 nM 404.45 N#C[C@H](Cc1ccc(-c2cnn3cccnc23)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662539 OBDepict N NH H O F H N H F H H N H 3 C O IC50 = 3.7 nM 450.49 CN1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3F)cc21 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662538 OBDepict N HN H O F H N H H H N N H 3 C H 3 C CH 3 IC50 = 3.7 nM 409.51 CC(C)(C)n1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cn1 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667267 OBDepict N HN H O F H HN H H S N O O O IC50 = 3.7 nM 512.61 N#C[C@H](Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667331 OBDepict N HN H O F H NH H H N O IC50 = 3.7 nM 424.52 N#C[C@H](Cc1ccc(C2=CC3COCCN3CC2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667271 OBDepict N NH H O F H NH H H N N IC50 = 3.7 nM 393.47 N#C[C@H](Cc1ccc(-c2cnc3n2CCC3)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667294 OBDepict N NH H O F H HN H H O H 2 N IC50 = 3.7 nM 406.46 N#C[C@H](Cc1ccc(-c2cccc(C(N)=O)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667302 OBDepict N HN H O F H HN H H O S O O CH 3 F F IC50 = 3.8 nM 521.56 CS(=O)(=O)c1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cc1OCC(F)F Homo sapiens CHEMBL3705813 single protein format
CHEMBL1080601 OBDepict N N H H O NH 2 H S IC50 = 3.8 nM 375.5 N#C[C@@H](NC(=O)[C@@H](N)Cc1cccs1)C(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL1113170 single protein format
CHEMBL3667284 OBDepict N NH H O F H N H H H S N O N O IC50 = 3.8 nM 537.66 N#C[C@H](Cc1ccc(-c2csc(C(=O)N3CCN4CCOCC4C3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3667349 OBDepict N N H O H HN H O N H H F F IC50 = 3.8 nM 422.44 N#CC(Cc1ccc2c(c1)c(=O)[nH]c1c(F)c(F)ccc12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662667 OBDepict N NH H O F H N H H H S O O IC50 = 3.8 nM 467.57 N#C[C@H](Cc1ccc(-c2cccc(S(=O)(=O)C3CC3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Homo sapiens CHEMBL3705813 single protein format
CHEMBL3662540 OBDepict N HN H O F H N H H H S N CH 3 IC50 = 3.9 nM 384.48 Cc1ncc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)s1 Homo sapiens CHEMBL3705813 single protein format