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

Functional 10μM Targets with Highest Number of Available Compounds (59 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
Z50597	Z50597	CHEMBL376	Rattus norvegicus	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50587	Z50587	CHEMBL372	Homo sapiens	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50588	Z50588	CHEMBL373	Canis familiaris	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2B_HUMAN	P18089	CHEMBL1942	Alpha-2b adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
FFAR1_HUMAN	O14842	CHEMBL4422	Free fatty acid receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GPBAR_HUMAN	Q8TDU6	CHEMBL5409	G-protein coupled bile acid receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA1_HUMAN	P42261	CHEMBL2009	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
GRIA3_HUMAN	P42263	CHEMBL3595	Glutamate receptor ionotropic, AMPA 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA3_RAT	P19492	CHEMBL3504	Glutamate receptor ionotropic, AMPA 3	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_HUMAN	Q14832	CHEMBL2888	Metabotropic glutamate receptor 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM3_RAT	P31422	CHEMBL3067	Metabotropic glutamate receptor 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM4_RAT	P31423	CHEMBL2787	Metabotropic glutamate receptor 4	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
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
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
NMDE1_RAT	Q00959	CHEMBL310	Glutamate [NMDA] receptor subunit epsilon 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDZ1_RAT	P35439	CHEMBL330	Glutamate (NMDA) receptor subunit zeta 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
O3FA1_HUMAN	Q5NUL3	CHEMBL5339	G-protein coupled receptor 120	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX1_RAT	P47824	CHEMBL2530	P2X purinoceptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RY1_RAT	P49651	CHEMBL2497	Purinergic receptor P2Y1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PTAFR_HUMAN	P25105	CHEMBL250	Platelet activating factor receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
VDR_HUMAN	P11473	CHEMBL1977	Vitamin D receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100081	Z100081	CHEMBL613107	PBMC (Peripheral blood mononuclear cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102178	Z102178	CHEMBL613694	Liver microsomes	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102317	Z102317	CHEMBL613617	Brain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50592	Z50592	CHEMBL374	Oryctolagus cuniculus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50643	Z50643	CHEMBL379	Hepatitis C virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80178	Z80178	CHEMBL614040	J774.A1 (Macrophage cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80437	Z80437	CHEMBL614885	RWLeu4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80566	Z80566	CHEMBL612794	U-937 (Histiocytic lymphoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80608	Z80608	CHEMBL614393	ZR-75-1 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80712	Z80712	CHEMBL614361	T47D (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80800	Z80800	CHEMBL614725	MIA PaCa-2 (Pancreatic carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81034	Z81034	CHEMBL614004	A2780 (Ovarian carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81117	Z81117	CHEMBL613995	Keratinocytes (Keratinocytes)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81252	Z81252	CHEMBL400	MDA-MB-231 (Breast adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81298	Z81298	CHEMBL614846	PE cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81338	Z81338	CHEMBL614309	T-cells	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81346	Z81346	CHEMBL614313	Melanophores (Melanophore cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase