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Q9UNI1 | CELA1_HUMAN | Chymotrypsin-like elastase family member 1 (CELA1)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL336171 OBDepict O NH O CH 3 H N H O CH 3 H N O H N H O H O H 3 C CH 3 F F F Ki = 1.0 nM 542.56 CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)C(F)(F)F Homo sapiens CHEMBL675337 single protein format
CHEMBL130271 OBDepict H 3 C O O HN O H 3 C H HN O CH 3 H N O H HN O H O H 3 C CH 3 F F F Ki = 14.0 nM 522.52 COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C Homo sapiens CHEMBL675337 single protein format
CHEMBL337396 OBDepict O HN O H 3 C H H 3 C H 3 C CH 3 HN O CH 3 H N O H NH O H O CH 3 H 3 C F F F Ki = 44.0 nM 508.54 CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)C(F)(F)F Homo sapiens CHEMBL675337 single protein format
CHEMBL79993 OBDepict O H N O H N O O IC50 = 51.6 nM 330.38 O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 Homo sapiens CHEMBL1019939 single protein format
CHEMBL446422 OBDepict O NH O H CH 3 H 3 C CH 3 N O H N H O H O CH 3 H 3 C F F F Ki = 160.0 nM 513.56 CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)C(F)(F)F Homo sapiens CHEMBL675337 single protein format
CHEMBL436383 OBDepict CH 3 O O N H O H 3 C H HN O CH 3 H N O H N H O H O H 3 C H 3 C O O CH 3 Ki = 200.0 nM 512.56 COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(=O)OC)C(C)C Homo sapiens CHEMBL675337 single protein format
CHEMBL130128 OBDepict CH 3 N H O CH 3 H N H O CH 3 H N O H N H O H 3 C H O F F F Ki = 250.0 nM 422.4 CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(F)(F)F Homo sapiens CHEMBL675337 single protein format
CHEMBL465606 OBDepict CH 3 O O O O HO O O OH CH 3 OH OH Ki = 290.0 nM 414.32 COC(=O)c1oc2cc(O)c(O)cc2c1-c1c(C(=O)OC)oc2cc(O)c(O)cc12 Homo sapiens CHEMBL1019939 single protein format
CHEMBL131188 OBDepict CH 3 O O O NH H 3 C H O N H H 3 C H O HN CH 3 H O HN CH 3 H O O Ki = 300.0 nM 492.53 CCOC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL675337 single protein format
CHEMBL132768 OBDepict CH 3 O O NH O H N O H N H O H O CH 3 H 3 C F F F Ki = 660.0 nM 527.54 COC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C Homo sapiens CHEMBL675337 single protein format
CHEMBL131780 OBDepict CH 3 O O O N H CH 3 H O H N O N H CH 3 H O H N O H 3 C Ki = 850.0 nM 438.48 COC(=O)C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O Homo sapiens CHEMBL675337 single protein format