ZINC 12

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  ZINC ID or SMILES

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Yeast Metabolome

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

Functional 10μM Targets with Highest Number of Available Compounds (123 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50594	Z50594	CHEMBL375	Mus musculus	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RY6_HUMAN	Q15077	CHEMBL4714	Pyrimidinergic receptor P2Y6	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RY2_HUMAN	P41231	CHEMBL4398	Purinergic receptor P2Y2	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50587	Z50587	CHEMBL372	Homo sapiens	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81072	Z81072	CHEMBL397	Jurkat (Acute leukemic T-cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81252	Z81252	CHEMBL400	MDA-MB-231 (Breast adenocarcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RY4_RAT	O35811	CHEMBL2124	Pyrimidinergic receptor P2Y4	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2Y14_HUMAN	Q15391	CHEMBL4518	Purinergic receptor P2Y14	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100766	Z100766	CHEMBL613712	Radical scavenging activity	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50588	Z50588	CHEMBL373	Canis familiaris	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80712	Z80712	CHEMBL614361	T47D (Breast carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX1_HUMAN	P51575	CHEMBL2094	P2X purinoceptor 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RY1_HUMAN	P47900	CHEMBL4315	Purinergic receptor P2Y1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RY1_RAT	P49651	CHEMBL2497	Purinergic receptor P2Y1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RY2_MOUSE	P35383	CHEMBL1075298	P2Y purinoceptor 2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RY2_RAT	P41232	CHEMBL4419	Purinergic receptor P2Y2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RY4_HUMAN	P51582	CHEMBL2123	Pyrimidinergic receptor P2Y4	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2Y11_HUMAN	Q96G91	CHEMBL4867	Purinergic receptor P2Y11	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2Y12_RAT	Q9EPX4	CHEMBL2188	Purinergic receptor P2Y12	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TAAR1_HUMAN	Q96RJ0	CHEMBL5857	Trace amine-associated receptor 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TLR2_HUMAN	O60603	CHEMBL4163	Toll-like receptor 2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50725	Z50725	CHEMBL612348	Trypanosoma brucei rhodesiense	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80418	Z80418	CHEMBL612557	RAW264.7 (Monocytic-macrophage leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80548	Z80548	CHEMBL614245	THP-1 (Acute monocytic leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA1R_HUMAN	P30542	CHEMBL226	Adenosine A1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA2AR_HUMAN	P29274	CHEMBL251	Adenosine A2a receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA2AR_RAT	P30543	CHEMBL302	Adenosine A2a receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA2BR_HUMAN	P29275	CHEMBL255	Adenosine A2b receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA3R_HUMAN	P33765	CHEMBL256	Adenosine A3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2B_HUMAN	P18089	CHEMBL1942	Alpha-2b adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADCY2_RAT	P26769	CHEMBL2958	Adenylate cyclase type II	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ANDR_HUMAN	P10275	CHEMBL1871	Androgen Receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GABR1_HUMAN	Q9UBS5	CHEMBL2064	GABA-B receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA1_HUMAN	P14867	CHEMBL1962	GABA receptor alpha-1 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA2_HUMAN	P47869	CHEMBL4956	GABA receptor alpha-2 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA3_HUMAN	P34903	CHEMBL3026	GABA receptor alpha-3 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA4_HUMAN	P48169	CHEMBL2472	GABA receptor alpha-4 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA5_HUMAN	P31644	CHEMBL5112	GABA receptor alpha-5 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA6_HUMAN	Q16445	CHEMBL2579	GABA receptor alpha-6 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRB3_HUMAN	P28472	CHEMBL1847	GABA receptor beta-3 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRG2_HUMAN	P18507	CHEMBL1788	GABA receptor gamma-2 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRR1_HUMAN	P24046	CHEMBL3561	GABA receptor rho-1 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRR2_HUMAN	P28476	CHEMBL2375	GABA receptor rho-2 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRR3_HUMAN	A8MPY1	CHEMBL2394	GABA receptor rho-3 subunit	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
HRH1_HUMAN	P35367	CHEMBL231	Histamine H1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH2_HUMAN	P25021	CHEMBL1941	Histamine H2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH3_HUMAN	Q9Y5N1	CHEMBL264	Histamine H3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH3_RAT	Q9QYN8	CHEMBL4124	Histamine H3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH4_HUMAN	Q9H3N8	CHEMBL3759	Histamine H4 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ITPR1_RAT	P29994	CHEMBL2804	Inositol 1,4,5-trisphosphate receptor type 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KITH_HUMAN	P04183	CHEMBL2883	Thymidine kinase, cytosolic	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LOX5_HUMAN	P09917	CHEMBL215	Arachidonate 5-lipoxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LOX5_RAT	P12527	CHEMBL312	Arachidonate 5-lipoxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LPAR1_HUMAN	Q92633	CHEMBL3819	Lysophosphatidic acid receptor Edg-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LPAR2_HUMAN	Q9HBW0	CHEMBL3724	Lysophosphatidic acid receptor Edg-4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LPAR3_HUMAN	Q9UBY5	CHEMBL3250	Lysophosphatidic acid receptor Edg-7	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LPAR5_HUMAN	Q9H1C0	CHEMBL5700	Lysophosphatidic acid receptor 5	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
NTCP_RAT	P26435	CHEMBL4847	Bile acid transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX1_RAT	P47824	CHEMBL2530	P2X purinoceptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX2_RAT	P49653	CHEMBL2135	P2X purinoceptor 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX3_HUMAN	P56373	CHEMBL2998	P2X purinoceptor 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX4_HUMAN	Q99571	CHEMBL2104	P2X purinoceptor 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX4_RAT	P51577	CHEMBL2818	P2X purinoceptor 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX5_RAT	P51578	CHEMBL2495	P2X purinoceptor 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX6_RAT	P51579	CHEMBL2122	P2X purinoceptor 6	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RY1_MELGA	P49652	CHEMBL5720	P2Y purinoceptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RY6_RAT	Q63371	CHEMBL3543	Pyrimidinergic receptor P2Y6	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH1_HUMAN	P23219	CHEMBL221	Cyclooxygenase-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S6A11_RAT	P31647	CHEMBL3598	GABA transporter 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S6A12_RAT	P48056	CHEMBL5248	Betaine transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S6A13_RAT	P31646	CHEMBL4889	GABA transporter 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A1_RAT	P23978	CHEMBL4054	GABA transporter 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPA1_HUMAN	O75762	CHEMBL6007	Transient receptor potential cation channel subfamily A member 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102178	Z102178	CHEMBL613694	Liver microsomes	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102306	Z102306	CHEMBL613606	Aorta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102342	Z102342	CHEMBL613642	Liver	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50136	Z50136	CHEMBL612608	Plasmodium falciparum (isolate FcB1 / Columbia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50185	Z50185	CHEMBL352	Staphylococcus aureus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50186	Z50186	CHEMBL353	Staphylococcus epidermidis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50426	Z50426	CHEMBL612856	Plasmodium falciparum (isolate K1 / Thailand)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50442	Z50442	CHEMBL366	Candida albicans	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50512	Z50512	CHEMBL369	Cavia porcellus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50518	Z50518	CHEMBL613124	Human herpesvirus 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50606	Z50606	CHEMBL613497	Hepatitis B virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50607	Z50607	CHEMBL378	Human immunodeficiency virus 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50643	Z50643	CHEMBL379	Hepatitis C virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80064	Z80064	CHEMBL382	CCRF-CEM (T-cell leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80492	Z80492	CHEMBL614924	SK-N-SH (Neuroblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80608	Z80608	CHEMBL614393	ZR-75-1 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80682	Z80682	CHEMBL392	A549 (Lung carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80945	Z80945	CHEMBL614735	HEp-2 (Laryngeal carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81000	Z81000	CHEMBL614316	HT-22 (Hippocampal cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81034	Z81034	CHEMBL614004	A2780 (Ovarian carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81338	Z81338	CHEMBL614309	T-cells	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase