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This search will returns compounds in the BindingDB that match the drawn compound. You can choose between "Exact" match of the entire molecule; exact "Substructure" match; or fingerprint-based similarity, with a selectable similarity percentage.

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TargetSD fileTargetSDfile
 Ab N1G9  12D  3D Abhydrolase Domain-Containing Protein 6  12D  3D
 ABL  682D  3D ABL Mutant (E255K)  682D  3D
 ABL Mutant (F359V)  72D  3D ABL Mutant (H396P)  72D  3D
 ABL Mutant (M351T)  72D  3D ABL Mutant (Q252H)  72D  3D
 ABL Mutant (T315I)  262D  3D ABL Mutant (T315N)  262D  3D
 ABL Mutant (Y253F)  72D  3D Acetate Operon Repressor (C-IclR)  72D  3D
 Acetate Operon Repressor (IclR)  22D  3D Acetolactate synthase  22D  3D
 Acetyl-CoA acetyltransferase, mitochondrial  812D  3D Acetyl-CoA carboxylase 1  812D  3D
 Acetyl-CoA carboxylase 2  1102D  3D Acetyl-Coenzyme A carboxylase 2  1102D  3D
 Acetylcholine receptor protein alpha chain  42D  3D Acetylcholine receptor protein alpha chain/Acetylcholine receptor protein beta chain/Acetylcholine receptor protein delta chain /Acetylcholine receptor protein epsilon chain /Acetylcholine recepto  42D  3D
 Acetylcholine receptor protein alpha chain/Acetylcholine receptor protein beta chain/Neuronal acetylcholine receptor protein alpha-10 subunit/Neuronal acetylcholine receptor protein alpha-2 subuni  2932D  3D Acetylcholine receptor protein alpha chain/Acetylcholine receptor protein delta chain /Acetylcholine receptor protein gamma chain/Neuronal acetylcholine receptor protein beta-2 subunit  2932D  3D
 Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain  432D  3D Acetylcholine receptor protein alpha chain/beta chain/delta chain/delta chain /gamma chain  432D  3D
 Acetylcholine receptor protein alpha chain/Neuronal acetylcholine receptor protein alpha-10 subunit/Neuronal acetylcholine receptor protein alpha-2 subunit/Neuronal acetylcholine receptor protei  12D  3D Acetylcholine receptor protein alpha/beta chain  12D  3D
 Acetylcholine receptor protein alpha/beta/delta/gamma chain  292D  3D Acetylcholine receptor protein beta chain/Neuronal acetylcholine receptor protein alpha-3 subunit/Neuronal acetylcholine receptor protein beta-2 subunit/Neuronal acetylcholine receptor protein beta-  292D  3D
 Acetylcholine receptor protein delta chain  742D  3D Acetylcholine receptor protein delta chain   742D  3D
 Acetylcholine receptor protein epsilon chain   22D  3D Acetylcholine-binding protein  22D  3D
 Acetylcholinesterase (AChE)  29492D  3D Acidic alpha-glucosidase  12D  3D
 Acidic fibroblast growth factor  352D  3D Activated Protein C (APC)  352D  3D
 Activating transcription factor 1  312D  3D Acyl Cholesterol Acyltransferase 1 (ACAT-1)  312D  3D
 Acyl Cholesterol Acyltransferase 1 (ACAT-1)/coenzyme A:cholesterol acyltransferase 2  1042D  3D Acyl coenzyme A:cholesterol acyltransferase  1042D  3D
 Acyl coenzyme A:cholesterol acyltransferase 1  6232D  3D Acyl coenzyme A:cholesterol acyltransferase 1/2  6232D  3D
 Acyl coenzyme A:cholesterol acyltransferase 2  312D  3D Acyl coenzyme A:cholesterol acyltransferase/Carboxylesterase 1  312D  3D
 Acyl-CoA desaturase  522D  3D Acyl-CoA desaturase 1  522D  3D
 Acyl-CoA:dihydroxyacetonephosphateacyltransferase  42D  3D ADAM10  42D  3D
 ADAM12  52D  3D ADAM17  52D  3D
 ADAM9  342D  3D ADAMTS-4 (Aggrecanase-1)  342D  3D
 ADAMTS-4 (Aggrecanase-1)/ADAMTS5  692D  3D ADAMTS-5 (Aggrecanase-2)  692D  3D
 ADAMTS1  42D  3D ADAMTS4/ADAMTS5  42D  3D
 ADAMTS5  1312D  3D Adaptor-associated kinase  1312D  3D
 Adenosine A1 receptor  32832D  3D Adenosine A1 receptor/A2b receptor/A3 receptor/Receptor A2A  12D  3D
 Adenosine A1 receptor/A2b receptor/Receptor A2A  22D  3D Adenosine A1 receptor/A3 receptor/Receptor A2A/Receptor A2B  22D  3D
 Adenosine A1 receptor/GABA receptor alpha-2 subunit  12D  3D Adenosine A2a receptor  12D  3D
 Adenosine A2b receptor  262D  3D Adenosine A2b receptor/Receptor A2A  262D  3D
 Adenosine A3 Receptor  27212D  3D Adenosine A3 Receptor/Receptor A1/Receptor A2A/Receptor A2B  12D  3D
 Adenosine A3 Receptor/Receptor A2B  12D  3D Adenosine Deaminase  12D  3D
 Adenosine kinase  3942D  3D Adenosine Kinase (AK)  3942D  3D
 Adenosine Phosphosulfate Reductase (APSR)  102D  3D Adenosine Receptor A1  102D  3D
 Adenosine Receptor A2A  35272D  3D Adenosine Receptor A2A/A2B  12D  3D
 Adenosine Receptor A2A/Adenylate cyclase type II  102D  3D Adenosine Receptor A2B  102D  3D
 Adenosine Receptor A3  72D  3D Adenosine transporter 1  72D  3D
 Adenosinetriphosphatase  42D  3D Adenosylhomocysteinase   42D  3D
 Adenylate cyclase  62D  3D Adenylate cyclase type 10  62D  3D
 Adenylate cyclase type I  172D  3D Adenylate cyclase type I/II/III/IV/V/VI/VII/VIII  172D  3D
 Adenylate cyclase type II  72D  3D Adenylate cyclase type II/Adenylate cyclase type III/Adenylate cyclase type IV/Adenylate cyclase type IX/Adenylate cyclase type V/Adenylate cyclase type VI/Adenylate cyclase type VII/Adenylat  72D  3D
 Adenylate cyclase type II/Adenylate cyclase type III/Adenylate cyclase type IV/Adenylate cyclase type V/Adenylate cyclase type VI/Adenylate cyclase type VII/Adenylate cyclase type VIII/Brai  222D  3D Adenylate cyclase type II/Adenylate cyclase type III/Adenylate cyclase type IX/Adenylate cyclase type V/Adenylate cyclase type VI/Adenylate cyclase type VII/Adenylate cyclase type VIII/Brai  222D  3D
 Adenylate cyclase type II/Adenylate cyclase type VIII/Brain adenylate cyclase 1  132D  3D Adenylate cyclase type II/III/IV/V/VI/VII/VIII  132D  3D
 Adenylate cyclase type II/III/IV/V/VI/VIII  202D  3D Adenylate cyclase type III/V  202D  3D
 Adenylate cyclase type IX  342D  3D Adenylate cyclase type V  342D  3D
 Adenylate kinase 1  292D  3D Adenylate kinase 1/2/3 alpha like 1/4  292D  3D
 Adenylate kinase 2  422D  3D Adenylate kinase 3 alpha like 1  422D  3D
 Adenylate kinase 4  12D  3D Adenylate kinase isoenzyme 1  12D  3D
 Adenylosuccinate synthetase 2   32D  3D ADM2  32D  3D
 ADP-ribosyltransferase/Poly [ADP-ribose] Polymerase-2 [PARP-2]/Poly [ADP-ribose] polymerase-1  192D  3D AICAR Tfase  192D  3D
 AICAR transformylase  482D  3D Alanine racemase  482D  3D
 Alanyl-tRNA synthetase  52D  3D Alcohol dehydrogenase 6 /alpha chain/beta chain /class II/class III/class IV /gamma chain   52D  3D
 Alcohol dehydrogenase 6 /alpha chain/beta chain /class III/class IV /gamma chain   352D  3D Alcohol dehydrogenase alpha chain  352D  3D
 Alcohol dehydrogenase beta chain   232D  3D Alcohol dehydrogenase class II  232D  3D
 Alcohol dehydrogenase class IV   202D  3D Alcohol dehydrogenase E chain /S chain   202D  3D
 Alcohol dehydrogenase gamma chain   232D  3D Alcohol sulfotransferase  232D  3D
 Aldehyde dehydrogenase  452D  3D Aldehyde dehydrogenase 1, mitochondrial  452D  3D
 Aldehyde dehydrogenase 1A1  262D  3D Aldehyde reductase  262D  3D
 Aldehyde Reductase (ALR1)  422D  3D Aldose reductase  422D  3D
 Aldose Reductase (ALR2)  1452D  3D Aldose Reductase (ALR2) Mutant (C298A)  1452D  3D
 Aldose Reductase (ALR2) Mutant (C298A/W219Y)  122D  3D Aldose Reductase (ALR2) Mutant (L300P)  122D  3D
 Aldose reductase/Alkaline phosphatase tissue-nonspecific  22D  3D Aldosterone Synthase (CYP11B2)  22D  3D
 ALK tyrosine kinase receptor  202D  3D ALK tyrosine kinase receptor/Nucleophosmin  202D  3D
 Alkaline phosphatase placental type  12D  3D Alkaline phosphatase placental-like  12D  3D
 Alkaline phosphatase tissue-nonspecific  22D  3D Alkaline phosphatase, tissue-nonspecific isozyme  22D  3D
 Alpha-1 Adrenergic Receptor  582D  3D Alpha-1 Adrenergic Receptor/ adrenergic receptor  582D  3D
 Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor  24222D  3D Alpha-1 Adrenergic Receptor/Alpha-1a adrenergic receptor/Alpha-1d adrenergic receptor/Alpha-2b adrenergic receptor/Alpha-2c adrenergic receptor/Alpha2 Adrenoreceptor  12D  3D
 Alpha-1 Adrenergic Receptor/Alpha-1a adrenergic receptor/Alpha-1d adrenergic receptor/Alpha-2b adrenergic receptor/Alpha-2c adrenergic receptor/Alpha2 Adrenoreceptor/Beta-1 adrenergic receptor/Beta-  62D  3D Alpha-1 Adrenergic Receptor/Alpha-2b adrenergic receptor/Alpha-2c adrenergic receptor/Alpha2 Adrenoreceptor  62D  3D
 Alpha-1-acid glycoprotein 1  22D  3D Alpha-1a adrenergic receptor  22D  3D
 Alpha-1a adrenergic receptor/Alpha-1b adrenergic receptor/Alpha-1d adrenergic receptor/Alpha-2a adrenergic receptor/Alpha-2b adrenergic receptor/Alpha-2c adrenergic receptor/Beta-1 Adrenergi  22D  3D Alpha-1a adrenergic receptor/Alpha-1b adrenergic receptor/Alpha-2a adrenergic receptor/Alpha-2b adrenergic receptor/Alpha-2c adrenergic receptor/Serotonin Receptor 1D  22D  3D
 Alpha-1a/Alpha-1b/Alpha-1d adrenergic receptor  3102D  3D Alpha-1a/Alpha-1b/Alpha-1d/Alpha-2a/Alpha-2b/Alpha-2c adrenergic receptor  3102D  3D
 Alpha-1a/Alpha-1b/Alpha-1d/Alpha-2a/Alpha-2b/Alpha-2c/Beta-1/Beta-2/Beta-3 adrenergic receptor  12D  3D Alpha-1a/Alpha-1d adrenergic receptor  12D  3D
 Alpha-1a/Alpha-2a adrenergic receptor  112D  3D Alpha-1b adrenergic receptor  112D  3D
 Alpha-1b/Alpha-1d adrenergic receptor  42D  3D Alpha-1d adrenergic receptor  42D  3D
 Alpha-2a adrenergic receptor  5082D  3D Alpha-2a adrenergic/Alpha2 Adren receptor  5082D  3D
 Alpha-2a/Alpha-2b adrenergic receptor  132D  3D Alpha-2a/Alpha-2b/Alpha-2c adrenergic receptor  132D  3D
 Alpha-2b adrenergic receptor  2232D  3D Alpha-2b adrenergic/Alpha-2c adrenergic/Alpha2 Adren receptor  2232D  3D
 Alpha-2c adrenergic receptor  2452D  3D alpha-Amylase  2452D  3D
 Alpha-amylase 2B /Pancreatic alpha-amylase  32D  3D alpha-Carbonic Anhydrase  32D  3D
 alpha-Chymotrypsin  2602D  3D Alpha-galactosidase  2602D  3D
 Alpha-galactosidase A  122D  3D Alpha-galactosidase C  122D  3D
 Alpha-glucosidase  212D  3D alpha-Glucosidase (alpha-Glu)  212D  3D
 Alpha-glucosidase II beta subunit  122D  3D Alpha-glucosidase MAL12  122D  3D
 Alpha-glucosidase MAL12/Alpha-glucosidase MAL62/alpha-Glucosidase (alpha-Glu)  332D  3D Alpha-glucosidase MAL12/Probable alpha-glucosidase YIL172C/alpha-Glucosidase (alpha-Glu)  332D  3D
 Alpha-glucosidase MAL62  62D  3D Alpha-L-fucosidase 1  62D  3D
 Alpha-L-fucosidase 1/2  62D  3D Alpha-L-fucosidase 2  62D  3D
 Alpha-L-fucosidase I  782D  3D Alpha-mannosidase  782D  3D
 Alpha-mannosidase 2A1/Alpha-mannosidase 2A2/Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase/Epididymis-specific alpha-mannosidase/Lysosomal alpha-mannosidase  82D  3D Alpha-mannosidase 2C1  82D  3D
 Alpha-mannosidase 2C1/Mannosidase 2 alpha 1  12D  3D alpha-Methylacyl-CoA Racemase  12D  3D
 Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase III  22D  3D Alpha2 Adrenoreceptor  22D  3D
 Amiloride-sensitive cation channel 3  42D  3D Amiloride-sensitive sodium channel alpha-subunit  42D  3D
 Amine oxidase  1042D  3D Amine oxidase, copper containing  1042D  3D
 Amine oxidase/Monoamine oxidase A  62D  3D Amine/Retina-specific amine oxidase, copper containing  62D  3D
 Aminoacyl-tRNA synthetase  312D  3D Aminoglycoside acetyltransferase  312D  3D
 Aminopeptidase A  612D  3D Aminopeptidase A/M  612D  3D
 Aminopeptidase B  512D  3D Aminopeptidase M  512D  3D
 Aminopeptidase N  2772D  3D AMP deaminase 1   2772D  3D
 AMP deaminase 1 /2/3  662D  3D AMP deaminase 2  662D  3D
 AMP deaminase 3  452D  3D AMP-activated protein kinase, alpha-1 subunit  452D  3D
 AMP-activated protein kinase, alpha-1/alpha-2 subunit  182D  3D AMP-activated protein kinase, alpha-1/alpha-2/beta-1 subunit  182D  3D
 AMP-activated protein kinase, alpha-1/alpha-2/beta-1/beta-2/gamma-1/gamma-2 subunit  352D  3D AMP-activated protein kinase, alpha-2 subunit  352D  3D
 AMP-activated protein kinase, beta-1 subunit  12D  3D Androgen Receptor  12D  3D
 Androgen Receptor (AR)  10292D  3D Angiotensin II type 1a (AT-1a) receptor  12D  3D
 Angiotensin II type 1a (AT-1a)/1b (AT-1b) receptor  6852D  3D Angiotensin II type 1a (AT-1a)/1b (AT-1b)/2 (AT-2) receptor  6852D  3D
 Angiotensin II type 1a (AT-1a)/2 (AT-2) receptor  1732D  3D Angiotensin II type 1b (AT-1b) receptor  1732D  3D
 Angiotensin II type 1b (AT-1b)/2 (AT-2) receptor  1492D  3D Angiotensin II type 2 (AT-2) receptor  1492D  3D
 Angiotensin-Converting Enzyme  10252D  3D Angiotensin-Converting Enzyme 2  12D  3D
 Angiotensin-converting enzyme related carboxypeptidase  22D  3D Angiotensin-converting enzyme-related carboxypeptidase  22D  3D
 Anthrax lethal factor  82D  3D Anthrax Lethal Factor (LF)  82D  3D
 Antithrombin-III precursor  32D  3D Apolipoprotein B-100   32D  3D
 Apolipoprotein H  142D  3D Apoptosis Regulator Bcl-2  142D  3D
 Apoptosis regulator Bcl-W  342D  3D Apoptosis Regulator Bcl-xL  342D  3D
 Apurinic-Apyrimidinic Endonuclease 1 (APE1)  472D  3D Arabinosyltransferase A  472D  3D
 Arachidonate 12-lipoxygenase  2022D  3D Arachidonate 15-lipoxygenase  2022D  3D
 Arachidonate 15-lipoxygenase, type II  602D  3D Arachidonate 5-lipoxygenase  602D  3D
 Arginyl-tRNA synthetase  22D  3D Aromatase (CYP19)  22D  3D
 Aryl hydrocarbon receptor  32D  3D Aryl Hydrocarbon Receptor (AhR)  32D  3D
 Arylamine N-acetyltransferase 1   182D  3D Arylamine N-acetyltransferase 1 /2  182D  3D
 Arylamine N-acetyltransferase 2  362D  3D Asialoglycoprotein receptor 1  362D  3D
 Asialoglycoprotein receptor 1/2  102D  3D Asparaginyl Endopeptidase (AE)  102D  3D
 Aspartate-semialdehyde dehydrogenase  22D  3D Aspartyl aminopeptidase   22D  3D
 ATP Phosphoribosyltransferase  112D  3D ATP-Binding Cassette Transporter ABCG2  112D  3D
 ATP-citrate synthase  1212D  3D ATP-dependent RNA helicase DDX3X  1212D  3D
 Atrial natriuretic peptide receptor A  262D  3D Atrial natriuretic peptide receptor A/B  262D  3D
 Atrial natriuretic peptide receptor A/B/C  112D  3D Atrial natriuretic peptide receptor B  112D  3D
 Atrial natriuretic peptide receptor C  262D  3D Aurora Kinase A (Aurora-A)  262D  3D
 Aurora kinase A-interacting protein  22D  3D Aurora Kinase B (Aurora-B)  22D  3D
 Aurora Kinase B (Aurora-B)/Inner centromere protein  252D  3D Aurora Kinase C (Aurora-C)  252D  3D
 Autotaxin  172D  3D Avian myoblastosis virus polyprotein II  172D  3D
 AXL Receptor Tyrosine Kinase  162D  3D