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Q13131 | AAPK1_HUMAN | 5'-AMP-activated protein kinase catalytic subunit alpha-1 (PRKAA1)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr,UBA_AID_AMPKalpha ]

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[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "Kinase associated domain 1, KA1" // AdenylateSensor_1 ]

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[ 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
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -8200.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804341 cell-based format
CHEMBL4860979 OBDepict F S N O O CH 3 N H 2 N O N H IC50 = -1600.0 nM 466.54 CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 Homo sapiens CHEMBL4804341 cell-based format
CHEMBL3780091 OBDepict O N H NH N N H H H H 2 N IC50 = 5.5 nM 323.4 N[C@H]1CC[C@@H](Nc2cc[nH]c(=O)c2-c2nc3ccccc3[nH]2)CC1 Homo sapiens CHEMBL3784665 single protein format
CHEMBL4794096 OBDepict H 3 C N CH 3 HN O CH 3 N H 3 C H O N H N IC50 = 93.0 nM 405.5 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(C#N)cc32)c1C Homo sapiens CHEMBL4769103 single protein format
CHEMBL4781578 OBDepict H 3 C N CH 3 HN O CH 3 N H 3 C H O N H O NH 2 IC50 = 107.0 nM 451.57 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(CCC(N)=O)cc32)c1C Homo sapiens CHEMBL4769103 single protein format
CHEMBL13976 OBDepict CH 3 N H 3 C HN O CH 3 N H 3 C H O N H F IC50 = 136.0 nM 370.43 Cc1[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN(C)C Homo sapiens CHEMBL4769103 single protein format
CHEMBL4796639 OBDepict _ N + N N N H O N H 3 C H CH 3 NH O N H 3 C H 3 C IC50 = 139.0 nM 449.56 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(CCN=[N+]=[N-])cc32)c1C Homo sapiens CHEMBL4769103 single protein format
CHEMBL4788980 OBDepict CH 3 N CH 3 N H O H 3 C CH 3 N H O N H F IC50 = 152.0 nM 412.51 CCN(CC)CCCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c1C Homo sapiens CHEMBL4769103 single protein format
CHEMBL535 OBDepict H 3 C N CH 3 HN O H 3 C CH 3 N H O N H F IC50 = 158.0 nM 398.48 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c1C Homo sapiens CHEMBL4769103 single protein format
CHEMBL4788376 OBDepict N N H O N CH 3 H H 3 C N H O N H 3 C H 3 C IC50 = 164.0 nM 433.56 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(CCC#N)cc32)c1C Homo sapiens CHEMBL4769103 single protein format
CHEMBL4800500 OBDepict OH N H O N H 3 C H CH 3 N H O N CH 3 CH 3 IC50 = 173.0 nM 424.55 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(CCO)cc32)c1C Homo sapiens CHEMBL4769103 single protein format
CHEMBL3542344 OBDepict H 3 C NH HN O H 3 C CH 3 N H O N H F IC50 = 180.0 nM 370.43 CCNCCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c1C Homo sapiens CHEMBL4769103 single protein format
CHEMBL4795330 OBDepict H 3 C N CH 3 HN O CH 3 N H 3 C H O N H NH O CH 3 IC50 = 184.0 nM 465.6 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(CCNC(C)=O)cc32)c1C Homo sapiens CHEMBL4769103 single protein format
CHEMBL4792246 OBDepict H 3 C N CH 3 HN O CH 3 N H 3 C H O N H HN O NH 2 IC50 = 205.0 nM 452.56 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(CNC(N)=O)cc32)c1C Homo sapiens CHEMBL4769103 single protein format
CHEMBL4782796 OBDepict H 3 C N CH 3 HN O CH 3 N H 3 C H O N H Br IC50 = 208.0 nM 459.39 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3cc(Br)ccc32)c1C Homo sapiens CHEMBL4769103 single protein format
CHEMBL4786972 OBDepict H 3 C N CH 3 HN O CH 3 N H 3 C H O N H Cl IC50 = 217.0 nM 414.94 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3cc(Cl)ccc32)c1C Homo sapiens CHEMBL4769103 single protein format
CHEMBL4799580 OBDepict H 3 C N CH 3 HN O H 3 C CH 3 N H O N H F IC50 = 221.0 nM 384.46 Cc1[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCCN(C)C Homo sapiens CHEMBL4769103 single protein format
CHEMBL4779166 OBDepict H 3 C N CH 3 HN O CH 3 N H 3 C H O N H F IC50 = 240.0 nM 398.48 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3cc(F)ccc32)c1C Homo sapiens CHEMBL4769103 single protein format
CHEMBL275117 OBDepict H 3 C N CH 3 HN O H 3 C CH 3 N H O N H IC50 = 246.0 nM 380.49 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccccc32)c1C Homo sapiens CHEMBL4769103 single protein format
CHEMBL4781062 OBDepict H 3 C O N H O N H 3 C H CH 3 NH O N H 3 C H 3 C IC50 = 296.0 nM 438.57 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(CCOC)cc32)c1C Homo sapiens CHEMBL4769103 single protein format
CHEMBL4785831 OBDepict H 3 C N H 3 C HN O H 3 C CH 3 N H O N H CH 3 IC50 = 348.0 nM 408.55 CCc1ccc2c(c1)NC(=O)/C2=Cc1[nH]c(C)c(C(=O)NCCN(CC)CC)c1C Homo sapiens CHEMBL4769103 single protein format
CHEMBL3542333 OBDepict H 2 N HN O CH 3 N H 3 C H O N H F IC50 = 393.0 nM 342.37 Cc1[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN Homo sapiens CHEMBL4769103 single protein format
CHEMBL4799631 OBDepict H 3 C N CH 3 HN O CH 3 N H 3 C H O N H O O CH 3 IC50 = 418.0 nM 466.58 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(CCOC(C)=O)cc32)c1C Homo sapiens CHEMBL4769103 single protein format
CHEMBL4448494 OBDepict CH 3 N CH 3 N N HN N N F F N N H 3 C CH 3 CH 3 IC50 = 865.0 nM 506.61 Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc2n1C(C)C Homo sapiens CHEMBL4305837 single protein format