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P54646 | AAPK2_HUMAN | 5'-AMP-activated protein kinase catalytic subunit alpha-2 (PRKAA2)

3D structures mapped by conservation among orthologs

[ Domain: "RuvA-C, UBA, CRAL/TRIO-N, HBS1" // UBA_AID_AMPKalpha ]

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[ 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 CHEMBL4804342 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 CHEMBL4804342 cell-based format
CHEMBL4794096 OBDepict H 3 C N CH 3 HN O CH 3 N H 3 C H O N H N IC50 = 16.2 nM 405.5 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(C#N)cc32)c1C Homo sapiens CHEMBL4769105 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 = 20.5 nM 424.55 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(CCO)cc32)c1C Homo sapiens CHEMBL4769105 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 = 32.4 nM 433.56 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(CCC#N)cc32)c1C Homo sapiens CHEMBL4769105 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 = 38.6 nM 412.51 CCN(CC)CCCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c1C Homo sapiens CHEMBL4769105 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 = 49.4 nM 398.48 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3cc(F)ccc32)c1C Homo sapiens CHEMBL4769105 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 = 50.4 nM 370.43 Cc1[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN(C)C Homo sapiens CHEMBL4769105 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 = 60.7 nM 451.57 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(CCC(N)=O)cc32)c1C Homo sapiens CHEMBL4769105 single protein format
CHEMBL3542344 OBDepict H 3 C NH HN O H 3 C CH 3 N H O N H F IC50 = 61.4 nM 370.43 CCNCCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c1C Homo sapiens CHEMBL4769105 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 = 61.7 nM 398.48 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c1C Homo sapiens CHEMBL4769105 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 = 65.1 nM 414.94 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3cc(Cl)ccc32)c1C Homo sapiens CHEMBL4769105 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 = 74.8 nM 384.46 Cc1[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCCN(C)C Homo sapiens CHEMBL4769105 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 = 82.5 nM 459.39 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3cc(Br)ccc32)c1C Homo sapiens CHEMBL4769105 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 = 83.6 nM 452.56 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(CNC(N)=O)cc32)c1C Homo sapiens CHEMBL4769105 single protein format
CHEMBL275117 OBDepict H 3 C N CH 3 HN O H 3 C CH 3 N H O N H IC50 = 88.5 nM 380.49 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccccc32)c1C Homo sapiens CHEMBL4769105 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 = 96.6 nM 438.57 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(CCOC)cc32)c1C Homo sapiens CHEMBL4769105 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 = 101.0 nM 449.56 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(CCN=[N+]=[N-])cc32)c1C Homo sapiens CHEMBL4769105 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 = 108.0 nM 465.6 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(CCNC(C)=O)cc32)c1C Homo sapiens CHEMBL4769105 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 = 111.0 nM 466.58 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(CCOC(C)=O)cc32)c1C Homo sapiens CHEMBL4769105 single protein format
CHEMBL3542333 OBDepict H 2 N HN O CH 3 N H 3 C H O N H F IC50 = 141.0 nM 342.37 Cc1[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN Homo sapiens CHEMBL4769105 single protein format
CHEMBL4779730 OBDepict H 3 C N CH 3 HN O CH 3 N H 3 C H O N H N H 3 C CH 3 IC50 = 154.0 nM 451.62 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(CCN(C)C)cc32)c1C Homo sapiens CHEMBL4769105 single protein format