HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q9BYF1 | ACE2_HUMAN | Angiotensin-converting enzyme 2 (ACE2)

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
CHEMBL260273 OBDepict H 3 C CH 3 N H H N O O CH 3 H P O OH H O HO Ki = 0.13 nM 452.49 CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H]1P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)O Homo sapiens CHEMBL929264 single protein format
CHEMBL409105 OBDepict H 3 C N H O H N O N H P N O OH H O OH O N Ki = 0.4 nM 543.52 CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1P(=O)(O)CC(Cc1cc(-c2ccccc2)no1)C(=O)O Homo sapiens CHEMBL929264 single protein format
CHEMBL429844 OBDepict H N H O HO N H N O OH CH 3 H 3 C Cl Cl IC50 = 0.44 nM 428.32 CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O)C(=O)O Homo sapiens CHEMBL928323 single protein format
CHEMBL261423 OBDepict CH 3 N H O H N O N H P N O OH H H O HO Ki = 0.7 nM 476.47 CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)O Homo sapiens CHEMBL929264 single protein format
CHEMBL261121 OBDepict H 3 C CH 3 N H H N O O CH 3 H P O OH O HO O N Ki = 1.25 nM 519.54 CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H]1P(=O)(O)CC(Cc1cc(-c2ccccc2)no1)C(=O)O Homo sapiens CHEMBL929264 single protein format
CHEMBL258698 OBDepict H 3 C N H O H N O H P O OH H O OH Ki = 5.2 nM 486.51 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)O Homo sapiens CHEMBL929264 single protein format
CHEMBL410509 OBDepict H 3 C N H O H N O H P O OH HO H O OH Ki = 5.2 nM 502.5 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)O Homo sapiens CHEMBL929264 single protein format
CHEMBL411942 OBDepict H 2 N NH H N O O H 3 C H P O OH H O OH Ki = 6.5 nM 467.5 CC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)O Homo sapiens CHEMBL929264 single protein format
CHEMBL411052 OBDepict CH 3 N H O H N O H 3 C CH 3 H P O OH H O HO Ki = 6.6 nM 438.46 CC(=O)N[C@H](C(=O)N1CCC[C@@H]1P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)O)C(C)C Homo sapiens CHEMBL929264 single protein format
CHEMBL263663 OBDepict CH 3 N H O H N O H P O OH O OH H O HO Ki = 7.0 nM 468.44 CC(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@@H]1P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)O Homo sapiens CHEMBL929264 single protein format
CHEMBL409721 OBDepict CH 3 N H O CH 3 H N O H P O OH H O OH Ki = 7.5 nM 410.41 CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)O Homo sapiens CHEMBL929264 single protein format
CHEMBL408182 OBDepict CH 3 CH 3 P HN H O OH O HN H O HO O N O CH 3 N N H Ki = 220.0 nM 559.56 CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC(C)C)P(=O)(O)CC(Cc1cc(-c2ccccc2)no1)C(=O)O Homo sapiens CHEMBL929264 single protein format
CHEMBL260677 OBDepict O N O H P O OH H O HO Ki = 300.0 nM 431.43 O=C(O)[C@H](Cc1ccccc1)CP(=O)(O)[C@H]1CCCN1C(=O)OCc1ccccc1 Homo sapiens CHEMBL929264 single protein format
CHEMBL411298 OBDepict CH 3 CH 3 H O HO P O OH H N O O Ki = 300.0 nM 397.41 CC(C)C[C@H](CP(=O)(O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O Homo sapiens CHEMBL929264 single protein format
CHEMBL408448 OBDepict H 3 C CH 3 P N H H O OH O H N H H O HO N O H 3 C N H Ki = 800.0 nM 492.51 CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC(C)C)P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)O Homo sapiens CHEMBL929264 single protein format
CHEMBL408705 OBDepict H 3 C CH 3 N H H NH O O CH 3 P H O OH H O OH Ki = 920.0 nM 502.55 CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)O Homo sapiens CHEMBL929264 single protein format