DUD-E Target Name,Link to DUD-E Target,RSCB PDB ID,Link to RSCB PDB ID,Description,RSCB PDB Title,RSCB Classification,RSCB Ligand ID,Link to Ligand SDF,Ligand Structure
NRAM,"NRAM",1b9v,"1b9v",Neuraminidase,Inhibitor of Influenza Virus Neuramidase,Hydrolase,RA2,"RA2",CCC(CC)Nc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O
CAH2,"CAH2",1bcd,"1bcd",Carbonic anhydrase II,CARBONIC ANHYDRASE II AND INHIBITOR TRIFLUOROMETHANE SULPHONAMIDE,Lyase,FMS,"FMS",C(F)(F)(F)S(=O)(=O)N
ACES,"ACES",1.00E+66,"1e66",Acetylcholinesterase,ACETYLCHOLINESTERASE COMPLEXED WITH (-)-HUPRINE X,Hydrolase,HUX,"HUX",CCC1=CC2Cc3c(c(c4ccc(cc4n3)Cl)N)C(C2)C1
CDK2,"CDK2",1h00,"1h00",Cyclin-dependent kinase 2,"CDK2 in complex with a disubstituted 4, 6-bis-anilino pyrimidine CDK4 inhibitor",Hydrolase,FAP,"FAP",CN(C)CC(COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O
NOS1,"NOS1",1qw6,"1qw6","Nitric-oxide synthase, brain",Nitric oxide synthase oxygenase domain in complex with N-omega-propyl-L-Arg,Oxidoreductase,H4B,"H4B",CC(C(C1CNc2c(c(=O)[nH]c(n2)N)N1)O)O
CP2C9,"CP2C9",1r9o,"1r9o",Cytochrome P450 2C9,P4502C9 with Flurbiprofen bound,Oxidoreductase,FLP,"FLP",CC(c1ccc(c(c1)F)c2ccccc2)C(=O)O
AOFB,"AOFB",1s3b,"1s3b",Monoamine oxidase B,MAOB in complex with N-methyl-N-propargyl-1(R)-aminoindan,Oxidoreductase,RMA,"RMA",CN(CC#C)C1CCc2c1cccc2
ESR1,"ESR1",1sj0,"1sj0",Estrogen receptor alpha,Estrogen Receptor Alpha Ligand-binding Domain in Complex with the Antagonist Ligand 4-D,Hormone/Growth Factor Receptor,E4D,"E4D",c1cc(ccc1C2C(Oc3ccc(cc3S2)O)c4ccc(cc4)OCCN5CCCCC5)O
PDE5A,"PDE5A",1udt,"1udt",Phosphodiesterase 5A,Phosphodiesterase 5 complexed with Sildenafil(Viagra),Hydrolase,VIA,"VIA",CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C)n(n1)C
HS90A,"HS90A",1uyg,"1uyg",Heat shock protein HSP 90-alpha,"Hsp90-alpha with 8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine",Chaperone,PU2,"PU2",COc1ccc(c(c1)Cc2[nH]c3c(nc(nc3n2)F)N)OC
FA7,"FA7",1w7x,"1w7x",Coagulation factor VII,Factor7 - 413 complex,Hydrolase,413,"413",COc1cc(ccc1OCc2ccccc2)C(C(=O)NC(c3ccccc3)C(=O)O)Nc4ccc(cc4)C(=N)N
THRB,"THRB",1ype,"1ype",Thrombin,Thrombin Inhibitor Complex,Hydrolase,UIP,"UIP",CCC1C2C3CCCN3C(C2C(=O)N1Cc4ccc5c(c4)OCO5)c6ccc(cc6)C(=N)N
ANDR,"ANDR",2am9,"2am9",Androgen Receptor,Androgen receptor ligand binding domain in complex with testosterone,Hormone/Growth Factor Receptor,TES,"TES",CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C
PTN1,"PTN1",2azr,"2azr",Protein-tyrosine phosphatase 1B,PTP1B with Bicyclic Thiophene inhibitor,Hydrolase,982,"982",c1cc2c(c(sc2nc1)C(=O)O)OCC(=O)O
CASP3,"CASP3",2cnk,"2cnk",Caspase-3,Caspase-3 in complex with aza-peptide epoxide inhibitor,Hydrolase,PRD_00067,PRD_00067,CC(C)[C@@H](C(=O)NN(CC(=O)O)C(=O)C[C@@H](C(=O)OCc1ccccc1)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCc2ccccc2
ROCK1,"ROCK1",2etr,"2etr",Rho-associated protein kinase 1,ROCK I bound to Y-27632,Transferase,Y27,"Y27",CC(C1CCC(CC1)C(=O)Nc2ccncc2)N
ESR2,"ESR2",2fsz,"2fsz",Estrogen receptor beta,Hydroxytamoxifen within the coactivator-binding groove of estrogen receptor beta,Hormone/Growth Factor Receptor,OHT,"OHT",CCC(=C(c1ccc(cc1)O)c2ccc(cc2)OCCN(C)C)c3ccccc3
PPARG,"PPARG",2gtk,"2gtk",Peroxisome proliferator-activated receptor gamma,Indole Propionic Acids as Novel PPARag CO-Agonists,Transcription,208,"208",CCOC(Cc1ccc2c(c1)ccn2Cc3c(oc(n3)c4ccccc4Cl)C)C(=O)O
ABL1,"ABL1",2hzi,"2hzi",Tyrosine-protein kinase ABL,Abl kinase domain in complex with PD180970,Transferase,JIN,"JIN",Cc1cc(ccc1F)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl
DPP4,"DPP4",2i78,"2i78",Dipeptidyl peptidase IV,dipeptidyl peptidase IV (DPP IV) complexed with ABT-341,Hydrolase,KIQ,"KIQ",c1c(c(cc(c1F)F)F)C2CC=C(CC2N)C(=O)N3CCn4c(nnc4C(F)(F)F)C3
LCK,"LCK",2of2,"2of2",Tyrosine-protein kinase LCK,Furanopyrimidine 8 bound to lck,Transferase,547,"547",c1ccc(cc1)c2c3c(ccnc3oc2c4ccccc4)NCCN5CCNCC5
ADA17,"ADA17",2oi0,"2oi0",ADAM17,TNF-a Coverting Enzyme (TACE) in complexed with Aryl-sulfonamide,Hydrolase,283,"283",CC#CCOc1ccc(cc1)S(=O)(=O)N2CCC(C2)S
IGF1R,"IGF1R",2oj9,"2oj9",Insulin-like growth factor I receptor,IGF-1R kinase domain complexed with a benzimidazole,Transferase,BMI,"BMI",Cc1cc(cc2c1[nH]c(n2)c3c(cc[nH]c3=O)NCc4ccccn4)n5ccnc5
MK01,"MK01",2ojg,"2ojg",MAP kinase ERK2,"ERK2 in complex with N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide",Transferase,19A,"19A",CN(C)C(=O)c1cc(c[nH]1)c2c(c[nH]n2)c3ccccc3
PLK1,"PLK1",2owb,"2owb",Serine/threonine-protein kinase PLK1,Catalytic Domain of Human Polo-like Kinase 1,Transferase,626,"626",CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4cn(cc4[nH]n3)C(=O)Cc5cccs5
VGFR2,"VGFR2",2p2i,"2p2i",Vascular endothelial growth factor receptor 2,VEGFR2 kinase domain in complex with a nicotinamide inhibitor,Transferase,608,"608",c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3cccnc3NCc4ccncc4
PPARA,"PPARA",2p54,"2p54",Peroxisome proliferator-activated receptor alpha,PPAR alpha bound with SRC1 peptide and GW735,Transcription,735,"735",Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NCc3ccc(cc3)OC(C)(C)C(=O)O
MK14,"MK14",2qd9,"2qd9",MAP kinase p38 alpha,P38 Alpha Map Kinase inhibitor based on heterobicyclic scaffolds,Transferase,LGF,"LGF",COc1c(cc2c(c[nH]c2n1)C(=O)C(=O)N3CCC(C3)O)C(=O)N4CCn5c(cnc5c6ccc(cc6F)F)C4
EGFR,"EGFR",2rgp,"2rgp",Epidermal growth factor receptor erbB1,EGFR in complex with hydrazone,Transferase,HYZ,"HYZ",c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c(c(ncn4)N)CNN5CCCCC5
GLCM,"GLCM",2v3f,"2v3f",Beta-glucocerebrosidase,Acid-beta-glucosidase produced in carrot,Hydrolase,BTB,"BTB",C(CO)N(CCO)C(CO)(CO)CO
ADRB1,"ADRB1",2vt4,"2vt4",Beta-1 adrenergic receptor,BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND CYANOPINDOLOL,Hydrolase,P32,"P32",CC(C)(C)NCC(COc1cccc2c1CC(=N2)C#N)O
PPARD,"PPARD",2znp,"2znp",Peroxisome proliferator-activated receptor delta,PPAR delta ligand binding domain in complex with a synthetic agonist TIPP204,Transcription,K55,"K55",CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)CC(CC)C(=O)O
FAK1,"FAK1",3bz3,"3bz3",Focal adhesion kinase 1,Focal Adhesion Kinase with a Methanesulfonamide Diaminopyrimidine Inhibitor,Transferase,YAM,"YAM",CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C
FGFR1,"FGFR1",3c4f,"3c4f",Fibroblast growth factor receptor 1,FGFR TYROSINE KINASE DOMAIN IN COMPLEX WITH 3-(3-methoxybenzyl)-7-azaindole,Transferase,C4F,"C4F",COc1cccc(c1)Cc2c[nH]c3c2cccn3
HMDH,"HMDH",3ccw,"3ccw",HMG-CoA reductase,Statin hmg-coa reductase inhibitor,Oxidoreductase,4HI,"4HI",CC(C)c1c(nc(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)C(=O)NCc3ccccc3
AKT1,"AKT1",3cqw,"3cqw",Serine/threonine-protein kinase AKT,Akt-1 complexed with substrate peptide and inhibitor,Hydrolase,CQW,"CQW",c1c(c2c([nH]1)ncnc2N3CCc4c(nc[nH]4)C3)Cl
AKT2,"AKT2",3d0e,"3d0e",Serine/threonine-protein kinase AKT2,Akt2 in complex with GSK690693,Hydrolase,G93,"G93",CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCCNC4
SRC,"SRC",3el8,"3el8",Tyrosine-protein kinase SRC,c-Src in complex with pyrazolopyrimidine 5,Transferase,PD5,"PD5",CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)Nc4cccc(c4)C(F)(F)F)c(ncn2)N
AA2AR,"AA2AR",3eml,"3eml",Adenosine A2a receptor,Human A2A Adenosine Receptor bound to ZM241385,"Membrane Protein, Receptor",ZMA,"ZMA",c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O
MP2K1,"MP2K1",3eqh,"3eqh",Dual specificity mitogen-activated protein kinase kinase 1,"Mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with U0126, ADP and MG2P",Transferase,5BM,"5BM",c1ccc(c(c1)N)SC(=C(C#N)C(=C(N)Sc2ccccc2N)C#N)N
DHI1,"DHI1",3frj,"3frj",11-beta-hydroxysteroid dehydrogenase 1,11b-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Piperidyl Benzamide Inhibitor,Oxidoreductase,A49,"A49",CC(c1ccc(cc1)C(=O)N(C2CC2)C3CCN(CC3)CC4(CC4)C(=O)N)(C(F)(F)F)O
KIT,"KIT",3g0e,"3g0e",Stem cell growth factor receptor,KIT kinase domain in complex with sunitinib,Transferase,B49,"B49",Cc1c([nH]c(c1C(=O)N)C)C=C2c3cc(ccc3NC2=O)F
RENI,"RENI",3g6z,"3g6z",Renin,Bioavailable Renin Inhibitors,Hydrolase,A7T,"A7T",Cc1cccc(c1C)CN(C2CC2)C(=O)C3=C(CC4CNCC3N4)c5ccc(cc5)OCCOc6c(cc(cc6Cl)C)Cl
PRGR,"PRGR",3kba,"3kba",Progesterone receptor,Progesterone receptor bound to sulfonamide pyrrolidine,Transcription,WOW,"WOW",Cc1ccccc1CN(c2ccc(c(c2)Cl)C#N)C3CCN(C3)S(=O)(=O)C
FA10,"FA10",3kl6,"3kl6",Coagulation factor X,"TAK-442: A potent, selective and orally active factor Xa inhibitor",Hydrolase,443,"443",c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)CC(C(=O)N3CCC(CC3)N4CCCNC4=O)O
CSF1R,"CSF1R",3krj,"3krj",Macrophage colony stimulating factor receptor,cFMS tyrosine kinase in complex with 4-Cyano-1H-imidazole-2-carboxylic acid (2-cyclohex-1-enyl-4-piperidin-4-yl-phenyl)-amide,Transferase,KRJ,"KRJ",c1cc(c(cc1C2CCNCC2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N
PARP1,"PARP1",3l3m,"3l3m",Poly [ADP-ribose] polymerase-1,PARP complexed with A927929,Transferase,A92,"A92",c1cc(c2c(c1)nc([nH]2)c3ccc(cc3F)C4CCCCN4)C(=O)N
BACE1,"BACE1",3l5d,"3l5d",Beta-secretase 1,BACE Bound to SCH723873,Oxidoreductase,BDV,"BDV",CCCCNC(=O)NCc1ccc(cc1)CN2C(=O)C(NC2=N)(C)CC(C)C
PGH2,"PGH2",3ln1,"3ln1",Cyclooxygenase-2,Structure of celecoxib bound at the COX-2 active site,Oxidoreductase,CEL,"CEL",Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F
JAK2,"JAK2",3lpb,"3lpb",Tyrosine-protein kinase JAK2,"Jak2 complexed with a potent 2,8-diaryl-quinoxaline",Transferase,NVB,"NVB",CNS(=O)(=O)c1ccc(cc1)c2cccc3c2nc(cn3)c4cc(c(c(c4)OC)OC)OC
MET,"MET",3lq8,"3lq8",Hepatocyte growth factor receptor,c-Met bound to XL880 (GSK1363089),Transferase,88Z,"88Z",COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F
MAPK2,"MAPK2",3m2w,"3m2w",MAP kinase-activated protein kinase 2,MAPKAK kinase 2 (MK2) complexed with a spiroazetidine-tetracyclic ATP site inhibitor,Transferase,L8I,"L8I",CN1CC2(C1)CNC(=O)c3c2[nH]c-4c3CCc5c4cc(nc5)c6ccccc6F
DYR,"DYR",3nxo,"3nxo",Dihydrofolate reductase,"5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase",Oxidoreductase,D2B,"D2B",CC(C)C(=Cc1coc2c1c(nc(n2)N)N)c3ccccc3OC
CP3A4,"CP3A4",3nxu,"3nxu",Cytochrome P450 3A4,Cytochrome P4503A4 bound to an inhibitor ritonavir,Oxidoreductase,RIT,"RIT",CC(C)c1nc(cs1)CN(C)C(=O)NC(C(C)C)C(=O)NC(Cc2ccccc2)CC(C(Cc3ccccc3)NC(=O)OCc4cncs4)O
ADRB2,"ADRB2",3ny8,"3ny8",Beta-2 adrenergic receptor,"beta2 adrenergic receptor in complex with the inverse agonist ICI 118,551",Hydrolase,JRZ,"JRZ",Cc1ccc(c2c1CCC2)OCC(C(C)NC(C)C)O
DRD3,"DRD3",3pbl,"3pbl",Dopamine D3 receptor,Dopamine D3 receptor in complex with eticlopride,Hydrolase,ETQ,"ETQ",CCc1cc(c(c(c1O)C(=O)NCC2CCCN2CC)OC)Cl
N/A,N/A,6cm4,"6cm4",Dopamine D2 receptor,Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone,"Membrane Protein, Receptor",8NU,"8NU",Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)c4c5ccc(cc5on4)F
MMP13,"MMP13",830c,"830c",Matrix metalloproteinase 13,Collagenase-3 Complexed to Sulphone-Based Hydroxamic Acid,Matrix Metalloprotease,RS1,"RS1",c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)CC3(CCOCC3)C(=O)NO