HOME LIGAND hPROTEOME OTHERS DOCUMENT

P17612 | KAPCA_HUMAN | cAMP-dependent protein kinase catalytic subunit alpha (PRKACA)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

download pymol session



[ 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
CHEMBL3356433 OBDepict NH 2 HN O N N O N CH 3 N H N O H 3 C CH 3 IC50 < 1.0 nM 451.53 Cc1c[nH]c2ncnc(N3CCC(CN)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12 Homo sapiens CHEMBL3801113 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 2.3 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL3820843 single protein format
CHEMBL3544960 OBDepict H 2 N OH Cl N N H IC50 < 10.0 nM 313.79 NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 Homo sapiens CHEMBL4022204 assay format
CHEMBL4568087 OBDepict H 3 C N N N N N S N H O H H H 2 N IC50 = 27.0 nM 421.53 Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479768 assay format
CHEMBL4457150 OBDepict NH 2 O N N N H F F F Ki = 30.0 nM 376.38 NCC1(c2cccc(-c3ccnc4[nH]nc(C(F)(F)F)c34)c2)CCOCC1 Homo sapiens CHEMBL4399587 single protein format
CHEMBL52529 OBDepict HO HN O H H O O OH HO O OH O HO IC50 = 30.0 nM 521.48 O=C(N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL770106 single protein format
CHEMBL1080071 OBDepict H 2 N N N N O H 2 N N Ki = 34.0 nM 270.3 Nc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1 Homo sapiens CHEMBL1104157 single protein format
CHEMBL484990 OBDepict O N S N H N H N IC50 < 50.0 nM 334.4 O=C1N=C(NCc2ccccc2)S/C1=Cc1c[nH]c2ncccc12 Homo sapiens CHEMBL1034200 single protein format
CHEMBL60254 OBDepict OH HN O H N H H O O OH HO O OH O HO IC50 = 50.0 nM 550.52 O=C(N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL770106 single protein format
CHEMBL432168 OBDepict OH HN O H H O H NH 2 O HO OH O OH O HO IC50 = 50.0 nM 536.49 N[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 Homo sapiens CHEMBL770106 single protein format
CHEMBL59828 OBDepict HO HN O H NH H O O OH HO O OH O HO IC50 = 70.0 nM 522.47 O=C(N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL770106 single protein format
CHEMBL308263 OBDepict H 2 N H H O H NH O O OH OH HO O HO O OH IC50 = 90.0 nM 550.52 NC[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 Homo sapiens CHEMBL770106 single protein format
CHEMBL1315166 OBDepict Br N H N H S O O N ClH ClH IC50 = 100.0 nM 519.29 Cl.Cl.O=S(=O)(NCCNC/C=C/c1ccc(Br)cc1)c1cccc2cnccc12 Homo sapiens CHEMBL1011048 single protein format
CHEMBL4453941 OBDepict N H 3 C H 3 C N N N H Ki = 110.0 nM 262.32 CC(C)(C#N)c1cccc(-c2ccnc3[nH]ccc23)n1 Homo sapiens CHEMBL4399587 single protein format
CHEMBL306580 OBDepict OH H O H HN O O OH HO OH O OH O HO IC50 = 130.0 nM 537.48 O=C(N[C@@H]1CC(O)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL770106 single protein format
CHEMBL3581149 OBDepict CH 3 O N H O S N H 2 N Ki = 140.0 nM 339.42 COc1cccc(CC(=O)Nc2cc(-c3ccnc(N)c3)cs2)c1 Homo sapiens CHEMBL3585198 single protein format
CHEMBL307708 OBDepict H 2 N H H O H NH O O OH OH HO O HO O OH IC50 = 170.0 nM 550.52 NC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 Homo sapiens CHEMBL770106 single protein format
CHEMBL75004 OBDepict OH H H O H HN O O OH HO OH O OH O HO IC50 = 220.0 nM 551.5 O=C(N[C@@H]1C[C@@H](CO)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL770106 single protein format
CHEMBL75661 OBDepict OH H H O H HN O O OH HO OH O OH O HO IC50 = 230.0 nM 551.5 O=C(N[C@@H]1C[C@H](CO)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL770106 single protein format
CHEMBL3401984 OBDepict OH HO H H N H N F N N H N F Ki = 230.0 nM 415.44 OCC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F Homo sapiens CHEMBL3405456 single protein format
CHEMBL3942454 OBDepict H 2 N OH Cl N N H IC50 = 250.0 nM 313.79 NC[C@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 Homo sapiens CHEMBL3881289 single protein format
CHEMBL309034 OBDepict HO HN O H H O H OH O OH HO O OH O HO IC50 = 250.0 nM 537.48 O=C(N[C@@H]1C[C@@H](O)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL770106 single protein format
CHEMBL3581126 OBDepict O N H S N Cl O O N Ki = 310.0 nM 373.82 O=C(Cc1ccc2c(c1Cl)OCO2)Nc1nc(-c2ccncc2)cs1 Homo sapiens CHEMBL3585198 single protein format
CHEMBL76920 OBDepict OH HN O H H O H 3 C CH 3 O HO OH O OH O HO IC50 < 330.0 nM 563.56 CC(C)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 Homo sapiens CHEMBL770106 single protein format
CHEMBL1258913 OBDepict O N H N N S N H N H O O H N IC50 = 332.0 nM 544.68 O=C(Nc1n[nH]c2cc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)sc12)c1ccc(N2CCOCC2)cc1 Homo sapiens CHEMBL1260168 single protein format
CHEMBL67442 OBDepict HO HN O H NH H O O OH HO O OH O HO IC50 = 350.0 nM 536.49 O=C(N[C@@H]1CNCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL770106 single protein format
CHEMBL1078930 OBDepict H 2 N N O N N N Ki = 380.0 nM 255.28 Nc1nonc1-c1nc2ccccc2n1CC1CC1 Homo sapiens CHEMBL1104157 single protein format
CHEMBL3099612 OBDepict O O H OH H O O IC50 = 430.0 nM 258.23 O=C1C[C@@H](O)[C@@H](C2=CC(=O)c3ccccc3C2=O)O1 Homo sapiens CHEMBL3100279 single protein format
CHEMBL306373 OBDepict OH HN O H O H O O OH HO O OH O HO IC50 = 450.0 nM 551.5 O=C(N[C@@H]1COCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL770106 single protein format
CHEMBL3401983 OBDepict F N N H N N N H F H H S O O H 2 N Ki = 490.0 nM 434.47 NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F Homo sapiens CHEMBL3405456 single protein format
CHEMBL573578 OBDepict H 2 N N N N N CH 3 H 3 C CH 3 IC50 = 500.0 nM 331.42 CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21 Homo sapiens CHEMBL1061943 single protein format
CHEMBL3581135 OBDepict H 3 C O N H O S N N N Ki = 500.0 nM 326.38 COc1cccc(CC(=O)Nc2nc(-c3ccncc3)ns2)c1 Homo sapiens CHEMBL3585198 single protein format
CHEMBL3581131 OBDepict H 3 C O N H O S N N Ki = 520.0 nM 325.39 COc1cccc(CC(=O)Nc2cnc(-c3ccncc3)s2)c1 Homo sapiens CHEMBL3585198 single protein format
CHEMBL1079294 OBDepict NH 2 N O N N N Ki = 540.0 nM 255.28 Nc1nonc1-c1nc2ccccc2n1C1CCC1 Homo sapiens CHEMBL1104157 single protein format
CHEMBL4242549 OBDepict O N H S N O N N Ki = 580.0 nM 422.55 O=C(Cc1cccc(OCCN2CCCCC2)c1)Nc1nc(-c2ccncc2)cs1 Homo sapiens CHEMBL4233279 single protein format
CHEMBL3401979 OBDepict F N N H N N NH F H H N O HO Ki = 590.0 nM 438.44 Oc1cc([C@H]2C3CCC(CC3)[C@@H]2Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)no1 Homo sapiens CHEMBL3405456 single protein format
CHEMBL1078929 OBDepict NH 2 N O N N N Ki = 600.0 nM 283.34 Nc1nonc1-c1nc2ccccc2n1C1CCCCC1 Homo sapiens CHEMBL1104157 single protein format
CHEMBL3581132 OBDepict H 3 C O N H O S N Ki = 600.0 nM 324.41 COc1cccc(CC(=O)Nc2cc(-c3ccncc3)cs2)c1 Homo sapiens CHEMBL3585198 single protein format
CHEMBL1171837 OBDepict H 3 C N N F F F N H O CH 3 N N N IC50 = 613.0 nM 532.57 Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 Homo sapiens CHEMBL4721773 single protein format
CHEMBL1079295 OBDepict H 2 N N O N N N Ki = 720.0 nM 269.31 Nc1nonc1-c1nc2ccccc2n1C1CCCC1 Homo sapiens CHEMBL1104157 single protein format
CHEMBL3581146 OBDepict CH 3 O N H O S N F Ki = 780.0 nM 342.4 COc1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1 Homo sapiens CHEMBL3585198 single protein format
CHEMBL3787112 OBDepict HO N H 2 N N N H H N IC50 = 780.0 nM 349.44 Nc1ncnc2c1c(-c1cccc(O)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1 Homo sapiens CHEMBL3790303 single protein format
CHEMBL3581150 OBDepict O NH S NH S O O CH 3 N H 2 N Ki = 850.0 nM 402.5 CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(N)c3)cs2)c1 Homo sapiens CHEMBL3585198 single protein format
CHEMBL365286 OBDepict H 3 C N N N O NH 2 N Ki = 960.0 nM 229.24 CCn1c(-c2nonc2N)nc2ccccc21 Homo sapiens CHEMBL1104157 single protein format
CHEMBL3922916 OBDepict H 2 N OH Cl N N H IC50 < 1000.0 nM 313.79 NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 Homo sapiens CHEMBL3881289 single protein format