ZINC 12

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  ZINC ID or SMILES

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DrugBank-withdrawn

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

Binding 1μM Targets with Highest Number of Available Compounds (102 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
KCNH2_HUMAN	Q12809	CHEMBL240	HERG	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH2_HUMAN	P35354	CHEMBL230	Cyclooxygenase-2	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2A_HUMAN	P28223	CHEMBL224	Serotonin 2a (5-HT2a) receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH1_HUMAN	P35367	CHEMBL231	Histamine H1 receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_HUMAN	P28335	CHEMBL225	Serotonin 2c (5-HT2c) receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_HUMAN	P14416	CHEMBL217	Dopamine D2 receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_RAT	P61169	CHEMBL339	Dopamine D2 receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q9WTR4_RAT	Q9WTR4	CHEMBL304	Norepinephrine transporter	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A3_HUMAN	Q01959	CHEMBL238	Dopamine transporter	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A3_RAT	P23977	CHEMBL338	Dopamine transporter	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A4_RAT	P31652	CHEMBL313	Serotonin transporter	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2A_RAT	P14842	CHEMBL322	Serotonin 2a (5-HT2a) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2B_RAT	P30994	CHEMBL323	Serotonin 2b (5-HT2b) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_RAT	P08909	CHEMBL324	Serotonin 2c (5-HT2c) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3A_HUMAN	P46098	CHEMBL1899	Serotonin 3a (5-HT3a) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1A_HUMAN	P35348	CHEMBL229	Alpha-1a adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1A_RAT	P43140	CHEMBL319	Alpha-1a adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1B_HUMAN	P35368	CHEMBL232	Alpha-1b adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1D_HUMAN	P25100	CHEMBL223	Alpha-1d adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1C_RAT	P22002	CHEMBL3762	Voltage-gated L-type calcium channel alpha-1C subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1D_RAT	P27732	CHEMBL4132	Voltage-gated L-type calcium channel alpha-1D subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD1_RAT	P18901	CHEMBL265	Dopamine D1 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH1_HUMAN	P23219	CHEMBL221	Cyclooxygenase-1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH2_SHEEP	P79208	CHEMBL4102	Cyclooxygenase-2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SCN1A_HUMAN	P35498	CHEMBL1845	Sodium channel protein type I alpha subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SCN2A_HUMAN	Q99250	CHEMBL4187	Sodium channel protein type II alpha subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SCN3A_HUMAN	Q9NY46	CHEMBL5163	Sodium channel protein type III alpha subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SCN8A_HUMAN	Q9UQD0	CHEMBL5202	Sodium channel protein type VIII alpha subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104304	Z104304	CHEMBL1907610	Adrenergic receptor alpha-1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1A_HUMAN	P08908	CHEMBL214	Serotonin 1a (5-HT1a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1B_HUMAN	P28222	CHEMBL1898	Serotonin 1b (5-HT1b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2A_BOVIN	Q75Z89	CHEMBL3446	Serotonin 2a (5-HT2a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2B_HUMAN	P41595	CHEMBL1833	Serotonin 2b (5-HT2b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3A_CAVPO	O70212	CHEMBL3666	Serotonin 3a (5-HT3a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3A_RAT	P35563	CHEMBL2411	Serotonin 3a (5-HT3a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3B_HUMAN	O95264	CHEMBL3895	Serotonin 3b (5-HT3b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3B_RAT	Q9JJ16	CHEMBL3458	Serotonin 3b (5-HT3b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3C_HUMAN	Q8WXA8	CHEMBL4795	Serotonin 3c (5-HT3c) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3D_HUMAN	Q70Z44	CHEMBL4673	Serotonin 3d (5-HT3d) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3E_HUMAN	A5X5Y0	CHEMBL3812	Serotonin 3e (5-HT3e) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT4R_CAVPO	O70528	CHEMBL5017	Serotonin 4 (5-HT4) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT4R_HUMAN	Q13639	CHEMBL1875	Serotonin 4 (5-HT4) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT6R_HUMAN	P50406	CHEMBL3371	Serotonin 6 (5-HT6) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1A_BOVIN	P18130	CHEMBL4892	Alpha-1a adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1B_MESAU	P18841	CHEMBL3122	Alpha-1b adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1D_RAT	P23944	CHEMBL326	Alpha-1d adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2A_RAT	P22909	CHEMBL327	Alpha-2a adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AK1A1_HUMAN	P14550	CHEMBL2246	Aldehyde reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AK1A1_PIG	P50578	CHEMBL4049	Aldehyde reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AK1BA_HUMAN	O60218	CHEMBL5983	Aldo-keto reductase family 1 member B10	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ALDR_BOVIN	P16116	CHEMBL3081	Aldose reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ALDR_HUMAN	P15121	CHEMBL1900	Aldose reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ALDR_PIG	P80276	CHEMBL4559	Aldose reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ALDR_RAT	P07943	CHEMBL2622	Aldose reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AOFB_HUMAN	P27338	CHEMBL2039	Monoamine oxidase B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
B5SU02_9CNID	B5SU02	CHEMBL1075028	Alpha carbonic anhydrase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1G_HUMAN	O43497	CHEMBL4641	Voltage-gated T-type calcium channel alpha-1G subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1H_HUMAN	O95180	CHEMBL1859	Voltage-gated T-type calcium channel alpha-1H subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1I_HUMAN	Q9P0X4	CHEMBL5558	Voltage-gated T-type calcium channel alpha-1I subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH12_HUMAN	O43570	CHEMBL3242	Carbonic anhydrase XII	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH13_MOUSE	Q9D6N1	CHEMBL2186	Carbonic anhydrase XIII	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH15_MOUSE	Q99N23	CHEMBL5973	Carbonic anhydrase 15	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH2_HUMAN	P00918	CHEMBL205	Carbonic anhydrase II	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH4_BOVIN	Q95323	CHEMBL281	Carbonic anhydrase IV	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH6_HUMAN	P23280	CHEMBL3025	Carbonic anhydrase VI	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH9_HUMAN	Q16790	CHEMBL3594	Carbonic anhydrase IX	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH_METTE	P40881	CHEMBL3932	Carbonic anhydrase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAN_YEAST	P53615	CHEMBL5931	Carbonic anhydrase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
COMT_RAT	P22734	CHEMBL2372	Catechol O-methyltransferase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CYNT_MYCTU	O53573	CHEMBL6068	Carbonic anhydrase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD1_BOVIN	Q95136	CHEMBL2967	Dopamine D1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD1_HUMAN	P21728	CHEMBL2056	Dopamine D1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD1_PIG	P50130	CHEMBL5067	Dopamine D1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_BOVIN	P20288	CHEMBL3998	Dopamine D2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD3_HUMAN	P35462	CHEMBL234	Dopamine D3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD3_RAT	P19020	CHEMBL3138	Dopamine D3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD4_HUMAN	P21917	CHEMBL219	Dopamine D4 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD4_RAT	P30729	CHEMBL3361	Dopamine D4 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD5_RAT	P25115	CHEMBL2281	Dopamine D5 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DYR_HUMAN	P00374	CHEMBL202	Dihydrofolate reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DYR_MOUSE	P00375	CHEMBL4564	Dihydrofolate reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
FNTA_BOVIN	P29702	CHEMBL2377	Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
FNTB_BOVIN	P49355	CHEMBL4671	Protein farnesyltransferase beta subunit	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
GBRA5_HUMAN	P31644	CHEMBL5112	GABA receptor alpha-5 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
HMDH_HUMAN	P04035	CHEMBL402	HMG-CoA reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HMDH_RAT	P51639	CHEMBL3247	HMG-CoA reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH2_BOVIN	O62698	CHEMBL3331	Cyclooxygenase-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH2_MOUSE	Q05769	CHEMBL4321	Cyclooxygenase-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH2_RAT	P35355	CHEMBL2977	Cyclooxygenase-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGTB1_HUMAN	P53609	CHEMBL4135	Geranylgeranyl transferase type I beta subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PPBT_RAT	P08289	CHEMBL2729	Alkaline phosphatase tissue-nonspecific	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q5AJ71_CANAL	Q5AJ71	CHEMBL5337	Carbonic anhydrase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A2_HUMAN	P23975	CHEMBL222	Norepinephrine transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A4_HUMAN	P31645	CHEMBL228	Serotonin transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SGMR1_HUMAN	Q99720	CHEMBL287	Sigma opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104301	Z104301	CHEMBL1907607	GABA-A receptor; anion channel	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase