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Q99895 | CTRC_HUMAN | Chymotrypsin-C (CTRC)

3D structures mapped by conservation among orthologs

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

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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
CHEMBL47394 OBDepict O N N O IC50 = 0.69 nM 266.3 O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1 Homo sapiens CHEMBL820159 single protein format
CHEMBL296771 OBDepict O N N O CH 3 H 3 C IC50 = 2.4 nM 266.3 Cc1ccc(N2C(=O)N(c3ccc(C)cc3)C2=O)cc1 Homo sapiens CHEMBL820159 single protein format
CHEMBL102115 OBDepict CH 2 H O O H H IC50 = 7.0 nM 166.22 C=CC[C@@H]1C(=O)O[C@H]2CCC[C@@H]21 Homo sapiens CHEMBL662083 single protein format
CHEMBL26494 OBDepict CH 3 N N O NH 2 N H O O F F O NH 2 Ki = 12.6 nM 483.48 Cc1cccc(-c2ncc(N)c(=O)n2CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(N)=O)c1 Homo sapiens CHEMBL660458 single protein format
CHEMBL100672 OBDepict CH 2 H O O H H IC50 = 37.0 nM 166.22 C=CC[C@H]1C(=O)O[C@H]2CCC[C@@H]21 Homo sapiens CHEMBL662083 single protein format
CHEMBL11391 OBDepict O NH N O O H 3 C CH 3 N H F F F O O Ki = 55.0 nM 529.52 CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F Homo sapiens CHEMBL660460 single protein format
CHEMBL457155 OBDepict H 3 C CH 3 O H O O H H CH 3 H 3 C H CH 3 H CH 3 H O O IC50 = 70.0 nM 480.65 CC(C)=CC(=O)C[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC[C@H]5[C@]6(C)C(=O)O[C@@H]6CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]21 Homo sapiens CHEMBL662083 single protein format
CHEMBL283786 OBDepict CH 3 O N N O NH 2 HN O O F F HN O Ki = 109.0 nM 589.6 COc1cccc(-c2ncc(N)c(=O)n2CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1 Homo sapiens CHEMBL660458 single protein format
CHEMBL26182 OBDepict H 3 C O O HN O F F O N H O N O N NH 2 H 3 C Ki = 147.0 nM 555.54 COC(=O)CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(-c2cccc(C)c2)ncc(N)c1=O Homo sapiens CHEMBL660458 single protein format
CHEMBL79463 OBDepict H 3 C O HN O H N O H 3 C CH 3 H NH O H O CH 3 H 3 C F F F Ki = 149.0 nM 423.43 COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C Homo sapiens CHEMBL662084 single protein format
CHEMBL23910 OBDepict O NH N O N O H 2 N F F N H O N Ki = 171.0 nM 560.56 Nc1cnc(-c2cccnc2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O Homo sapiens CHEMBL660458 single protein format
CHEMBL284017 OBDepict O N H N O O N F F N H O H 2 N Ki = 177.0 nM 559.57 Nc1cnc(-c2ccccc2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O Homo sapiens CHEMBL660458 single protein format
CHEMBL275228 OBDepict O NH N O N O H 2 N F F N H O N Ki = 240.0 nM 560.56 Nc1cnc(-c2ccncc2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O Homo sapiens CHEMBL660458 single protein format
CHEMBL274455 OBDepict Cl O O Ki = 270.0 nM 206.63 O=c1oc(Cl)ccc1-c1ccccc1 Homo sapiens CHEMBL818521 single protein format
CHEMBL284005 OBDepict F N N O NH 2 HN O O F F N H O Ki = 306.0 nM 577.56 Nc1cnc(-c2cccc(F)c2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O Homo sapiens CHEMBL660458 single protein format
CHEMBL26496 OBDepict CH 3 HN O F F O NH O N O N H 2 N CH 3 Ki = 348.0 nM 497.5 CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(-c2cccc(C)c2)ncc(N)c1=O Homo sapiens CHEMBL660458 single protein format
CHEMBL24697 OBDepict CH 3 N H O F F O HN O N N O NH 2 H 3 C Ki = 451.0 nM 553.61 CCCCCNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(-c2cccc(C)c2)ncc(N)c1=O Homo sapiens CHEMBL660458 single protein format
CHEMBL280377 OBDepict CH 3 N N O NH 2 N H O O F F F Ki = 455.0 nM 458.44 Cc1cccc(-c2ncc(N)c(=O)n2CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)F)c1 Homo sapiens CHEMBL660458 single protein format
CHEMBL24734 OBDepict Cl N N O NH 2 HN O O F F N H O Ki = 458.0 nM 594.02 Nc1cnc(-c2cccc(Cl)c2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O Homo sapiens CHEMBL660458 single protein format
CHEMBL113261 OBDepict O HN N O O H 3 C CH 3 N H F F F O O Cl Ki = 500.0 nM 563.96 CC(C)C(NC(=O)Cn1c(-c2ccc(Cl)cc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F Homo sapiens CHEMBL660460 single protein format
CHEMBL432442 OBDepict O NH N O O H 3 C CH 3 N H F F F O O CH 3 Ki = 720.0 nM 543.54 Cc1ccc(-c2ccc(NC(=O)OCc3ccccc3)c(=O)n2CC(=O)NC(C(=O)C(F)(F)F)C(C)C)cc1 Homo sapiens CHEMBL660460 single protein format
CHEMBL298276 OBDepict H 3 C N O N O H 3 C IC50 = 740.0 nM 142.16 CCN1C(=O)N(CC)C1=O Homo sapiens CHEMBL820159 single protein format
CHEMBL163002 OBDepict O NH H O NH H 3 C H O HN CH 3 H O O IC50 = 950.0 nM 425.49 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)Cc1ccccc1 Homo sapiens CHEMBL820162 single protein format
CHEMBL190743 OBDepict I N O O S IC50 = 1000.0 nM 419.24 O=C1C(=O)N(Cc2cc3ccccc3s2)c2ccc(I)cc21 Homo sapiens CHEMBL877333 single protein format