ZINC 12

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  ZINC ID or SMILES

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DrugBank-nutriceuticals

Binding 10μM Binding 1μM Functional 10μM ADME/T 10μM

Binding 10μM Targets with Highest Number of Available Compounds (88 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
Z104302	Z104302	CHEMBL1907608	Glutamate NMDA receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DCAM_HUMAN	P17707	CHEMBL4181	S-adenosylmethionine decarboxylase 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GLRA1_HUMAN	P23415	CHEMBL5845	Glycine receptor subunit alpha-1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GLRA2_HUMAN	P23416	CHEMBL5871	Glycine receptor subunit alpha-2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDZ1_RAT	P35439	CHEMBL330	Glutamate (NMDA) receptor subunit zeta 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PNMT_HUMAN	P11086	CHEMBL4617	Phenylethanolamine N-methyltransferase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
VDR_HUMAN	P11473	CHEMBL1977	Vitamin D receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA3R_HUMAN	P33765	CHEMBL256	Adenosine A3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_HUMAN	P22303	CHEMBL220	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_TORCA	P04058	CHEMBL4780	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CA2D1_MOUSE	O08532	CHEMBL4676	Voltage-gated calcium channel alpha2/delta subunit 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH14_HUMAN	Q9ULX7	CHEMBL3510	Carbonic anhydrase XIV	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH4_HUMAN	P22748	CHEMBL3729	Carbonic anhydrase IV	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH5A_HUMAN	P35218	CHEMBL4789	Carbonic anhydrase VA	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH5B_HUMAN	Q9Y2D0	CHEMBL3969	Carbonic anhydrase VB	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH6_HUMAN	P23280	CHEMBL3025	Carbonic anhydrase VI	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH7_HUMAN	P43166	CHEMBL2326	Carbonic anhydrase VII	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CASP2_HUMAN	P42575	CHEMBL4884	Caspase-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DYR_HUMAN	P00374	CHEMBL202	Dihydrofolate reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EAA3_HUMAN	P43005	CHEMBL2721	Excitatory amino acid transporter 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EGLN1_HUMAN	Q9GZT9	CHEMBL5697	Egl nine homolog 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
F16P1_HUMAN	P09467	CHEMBL3975	Fructose-1,6-bisphosphatase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
F16P1_PIG	P00636	CHEMBL2263	Fructose-1,6-bisphosphatase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
FOLR1_HUMAN	P15328	CHEMBL2121	Folate receptor alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
FOLR2_HUMAN	P14207	CHEMBL5064	Folate receptor beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
FOLR3_HUMAN	P41439	CHEMBL3885	Folate receptor gamma	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
G6PD_HUMAN	P11413	CHEMBL5347	Glucose-6-phosphate 1-dehydrogenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GLRA1_RAT	P07727	CHEMBL3246	Glycine receptor alpha-1 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GLRA2_RAT	P22771	CHEMBL2328	Glycine receptor alpha-2 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GLRA3_RAT	P24524	CHEMBL2677	Glycine receptor alpha-3 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GLRA4_MOUSE	Q61603	CHEMBL3500	Glycine receptor alpha-4 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GLRB_RAT	P20781	CHEMBL4126	Glycine receptor beta chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA1_HUMAN	P42261	CHEMBL2009	Glutamate receptor ionotropic, AMPA 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA1_MOUSE	P23818	CHEMBL3502	Glutamate receptor ionotropic, AMPA 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA1_RAT	P19490	CHEMBL3753	Glutamate receptor ionotropic, AMPA 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA2_HUMAN	P42262	CHEMBL4016	Glutamate receptor ionotropic, AMPA 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA2_RAT	P19491	CHEMBL3503	Glutamate receptor ionotropic, AMPA 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA3_RAT	P19492	CHEMBL3504	Glutamate receptor ionotropic, AMPA 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA4_HUMAN	P48058	CHEMBL3190	Glutamate receptor ionotropic, AMPA 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA4_RAT	P19493	CHEMBL3505	Glutamate receptor ionotropic, AMPA 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIK1_HUMAN	P39086	CHEMBL1918	Glutamate receptor ionotropic kainate 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIK1_RAT	P22756	CHEMBL2919	Glutamate receptor ionotropic kainate 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIK2_HUMAN	Q13002	CHEMBL3683	Glutamate receptor ionotropic kainate 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIK2_RAT	P42260	CHEMBL3607	Glutamate receptor ionotropic kainate 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIK3_HUMAN	Q13003	CHEMBL3684	Glutamate receptor ionotropic kainate 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIK3_RAT	P42264	CHEMBL3744	Glutamate receptor ionotropic kainate 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIK4_RAT	Q01812	CHEMBL3044	Glutamate receptor ionotropic kainate 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIK5_HUMAN	Q16478	CHEMBL2675	Glutamate receptor ionotropic kainate 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIK5_RAT	Q63273	CHEMBL4041	Glutamate receptor ionotropic kainate 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM1_HUMAN	Q13255	CHEMBL3772	Metabotropic glutamate receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM1_RAT	P23385	CHEMBL4477	Metabotropic glutamate receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM2_HUMAN	Q14416	CHEMBL5137	Metabotropic glutamate receptor 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM2_RAT	P31421	CHEMBL2851	Metabotropic glutamate receptor 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM3_RAT	P31422	CHEMBL3067	Metabotropic glutamate receptor 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM4_HUMAN	Q14833	CHEMBL2736	Metabotropic glutamate receptor 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM4_RAT	P31423	CHEMBL2787	Metabotropic glutamate receptor 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM5_HUMAN	P41594	CHEMBL3227	Metabotropic glutamate receptor 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM5_RAT	P31424	CHEMBL2564	Metabotropic glutamate receptor 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM6_RAT	P35349	CHEMBL3842	Metabotropic glutamate receptor 6	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM8_HUMAN	O00222	CHEMBL3228	Metabotropic glutamate receptor 8	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM8_MOUSE	P47743	CHEMBL4626	Metabotropic glutamate receptor 8	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM8_RAT	P70579	CHEMBL2718	Metabotropic glutamate receptor 8	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GSTK1_HUMAN	Q9Y2Q3	CHEMBL4491	Glutathione S-transferase kappa 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HCAR2_HUMAN	Q8TDS4	CHEMBL3785	Nicotinic acid receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HCAR2_MOUSE	Q9EP66	CHEMBL4420	HM74 nicotinic acid GPCR	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HCAR2_RAT	Q80Z39	CHEMBL4731	HM74 nicotinic acid GPCR	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
I23O1_HUMAN	P14902	CHEMBL4685	Indoleamine 2,3-dioxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MPIP2_HUMAN	P30305	CHEMBL4804	Dual specificity phosphatase Cdc25B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MT3_HUMAN	P25713	CHEMBL1250357	Metallothionein-3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MTR1A_CHICK	P49285	CHEMBL4555	Melatonin receptor 1A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MTR1A_HUMAN	P48039	CHEMBL1945	Melatonin receptor 1A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MTR1B_CHICK	P51050	CHEMBL4466	Melatonin receptor 1B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MTR1B_HUMAN	P49286	CHEMBL1946	Melatonin receptor 1B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MTR1C_CHICK	P49288	CHEMBL3196	Melatonin receptor 1C	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NOS2_HUMAN	P35228	CHEMBL4481	Nitric oxide synthase, inducible	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NQO2_HUMAN	P16083	CHEMBL3959	Quinone reductase 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH2_HUMAN	P35354	CHEMBL230	Cyclooxygenase-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH2_SHEEP	P79208	CHEMBL4102	Cyclooxygenase-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PTAFR_HUMAN	P25105	CHEMBL250	Platelet activating factor receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q72874_9HIV1	Q72874	CHEMBL243	Human immunodeficiency virus type 1 protease	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q9GRG7_9TRYP	Q9GRG7	CHEMBL5672	Glucose-6-phosphate 1-dehydrogenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC5A7_MOUSE	Q8BGY9	CHEMBL3013	Choline transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SRC_HUMAN	P12931	CHEMBL267	Tyrosine-protein kinase SRC	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
VDR_BOVIN	Q28037	CHEMBL3452	Vitamin D receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
VDR_CHICK	O42392	CHEMBL2353	Vitamin D receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
VDR_RAT	P13053	CHEMBL3150	Vitamin D receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100250	Z100250	CHEMBL612514	Calf thymus DNA	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase