HOME LIGAND hPROTEOME OTHERS DOCUMENT

P06756 | ITAV_HUMAN | Integrin alpha-V (ITGAV)

3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // Integrin_alpha2_2nd ]

download pymol session



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL474902 OBDepict HO O N O N O N N N H IC50 = 5.0 nM 483.53 O=C(O)CC(c1cccnc1)N1CCc2cc(Oc3cccc4c3nc3n4CCCN3)ccc2C1=O Homo sapiens CHEMBL1029872 single protein format
CHEMBL550802 OBDepict OH O HN H S HN O O Cl Cl O S IC50 = 8.0 nM 423.3 O=C(NC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)O)c1ccsc1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL558130 OBDepict OH O HN H S NH O O CH 3 CH 3 H 3 C O N H 3 C N IC50 = 11.0 nM 394.45 Cc1cc(C)c(S(=O)(=O)N[C@H](CNC(=O)c2ccnn2C)C(=O)O)c(C)c1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL471675 OBDepict HO O N O O O O N N HN IC50 = 14.0 nM 526.55 O=C(O)CC(c1ccc2c(c1)OCO2)N1CCc2cc(Oc3cccc4c3nc3n4CCCN3)ccc2C1=O Homo sapiens CHEMBL1029872 single protein format
CHEMBL558917 OBDepict HO O N H H S N H O O Cl Cl O S IC50 = 19.0 nM 423.3 O=C(NC[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)O)c1ccsc1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL562067 OBDepict HO O N H H S N H O O Cl Cl Cl O S IC50 = 24.0 nM 457.74 O=C(NC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)O)c1ccsc1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL559542 OBDepict O N H N H H O OH S O O I IC50 = 25.0 nM 474.28 O=C(NC[C@@H](NS(=O)(=O)c1ccccc1I)C(=O)O)c1ccccc1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL560272 OBDepict HO O NH H S N H O O H 3 C H 3 C CH 3 O O IC50 = 32.0 nM 380.42 Cc1cc(C)c(S(=O)(=O)N[C@H](CNC(=O)c2ccoc2)C(=O)O)c(C)c1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL554267 OBDepict H 3 C CH 3 CH 3 S HN O O H O OH N H O N O CH 3 IC50 = 41.0 nM 395.44 Cc1cc(C)c(S(=O)(=O)N[C@H](CNC(=O)c2coc(C)n2)C(=O)O)c(C)c1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL559135 OBDepict HO O NH H S N H O O H 3 C H 3 C CH 3 O S IC50 = 44.0 nM 396.49 Cc1cc(C)c(S(=O)(=O)N[C@H](CNC(=O)c2ccsc2)C(=O)O)c(C)c1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL550522 OBDepict O N H N H H O OH S O O Cl Cl IC50 = 62.0 nM 417.27 O=C(NC[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)O)c1ccccc1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL558131 OBDepict HO O HN H S N H O O CH 3 CH 3 H 3 C O N N IC50 = 63.0 nM 392.44 Cc1cc(C)c(S(=O)(=O)N[C@H](CNC(=O)c2cncnc2)C(=O)O)c(C)c1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL560928 OBDepict CH 3 O N H O N H H O OH S O O H 3 C CH 3 CH 3 IC50 = 78.0 nM 420.49 COc1ccccc1C(=O)NC[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(=O)O Homo sapiens CHEMBL1053400 single protein format
CHEMBL562529 OBDepict HO O HN H S N H O O CH 3 CH 3 H 3 C O N IC50 = 81.0 nM 391.45 Cc1cc(C)c(S(=O)(=O)N[C@H](CNC(=O)c2cccnc2)C(=O)O)c(C)c1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL540432 OBDepict N S NH O O H O HO N H O O IC50 = 98.0 nM 363.35 N#Cc1cccc(S(=O)(=O)N[C@H](CNC(=O)c2ccoc2)C(=O)O)c1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL559740 OBDepict O N H N H H O OH S O O Cl Cl IC50 = 118.0 nM 417.27 O=C(NC[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O)c1ccccc1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL561737 OBDepict HO O HN H S N H O O CH 3 CH 3 H 3 C O IC50 = 120.0 nM 390.46 Cc1cc(C)c(S(=O)(=O)N[C@H](CNC(=O)c2ccccc2)C(=O)O)c(C)c1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL558939 OBDepict H 3 C O S NH O O H O HO N H O O IC50 = 208.0 nM 368.37 COc1cccc(S(=O)(=O)N[C@H](CNC(=O)c2ccoc2)C(=O)O)c1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL561126 OBDepict O N H O NH H O OH S O O H 3 C IC50 = 260.0 nM 352.37 Cc1ccccc1S(=O)(=O)N[C@H](CNC(=O)c1ccoc1)C(=O)O Homo sapiens CHEMBL1053400 single protein format
CHEMBL560670 OBDepict O N H N H H O OH S O O Cl IC50 = 260.0 nM 382.83 O=C(NC[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)O)c1ccccc1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL558520 OBDepict HO O HN H S N H O O CH 3 CH 3 H 3 C O N IC50 = 301.0 nM 391.45 Cc1cc(C)c(S(=O)(=O)N[C@H](CNC(=O)c2ccncc2)C(=O)O)c(C)c1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL464400 OBDepict OH O N O O N N HN IC50 = 310.0 nM 406.44 O=C(O)CCN1CCc2cc(Oc3cccc4c3nc3n4CCCN3)ccc2C1=O Homo sapiens CHEMBL1029872 single protein format
CHEMBL550320 OBDepict O N H N H H O OH S O O CH 3 IC50 = 320.0 nM 362.41 Cc1ccccc1S(=O)(=O)N[C@H](CNC(=O)c1ccccc1)C(=O)O Homo sapiens CHEMBL1053400 single protein format
CHEMBL464399 OBDepict HO O N O O N N H 2 N CH 3 IC50 = 600.0 nM 380.4 Cn1c(N)nc2c(Oc3ccc4c(c3)CCN(CCC(=O)O)C4=O)cccc21 Homo sapiens CHEMBL1029872 single protein format
CHEMBL550395 OBDepict CH 3 O S HN O O H O OH N H O O IC50 = 700.0 nM 368.37 COc1ccccc1S(=O)(=O)N[C@H](CNC(=O)c1ccoc1)C(=O)O Homo sapiens CHEMBL1053400 single protein format
CHEMBL561270 OBDepict H 3 C O S NH O O H O HO N H O IC50 = 729.0 nM 378.41 COc1ccccc1S(=O)(=O)N[C@H](CNC(=O)c1ccccc1)C(=O)O Homo sapiens CHEMBL1053400 single protein format
CHEMBL562068 OBDepict HO O N H H S N H O O N O O IC50 = 793.0 nM 339.33 O=C(NC[C@@H](NS(=O)(=O)c1cccnc1)C(=O)O)c1ccoc1 Homo sapiens CHEMBL1053400 single protein format
CHEMBL556845 OBDepict CH 3 NH O HN H O HO S O O CH 3 CH 3 H 3 C IC50 = 800.0 nM 328.39 CC(=O)NC[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(=O)O Homo sapiens CHEMBL1053400 single protein format
CHEMBL560927 OBDepict H 3 C CH 3 CH 3 S HN O O H O OH N O IC50 = 975.0 nM 402.47 Cc1cc(C)c(S(=O)(=O)N[C@H](CN2Cc3ccccc3C2=O)C(=O)O)c(C)c1 Homo sapiens CHEMBL1053400 single protein format