ZINC 12

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  ZINC ID or SMILES

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Chemical Block BB

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

Binding 1μM Targets with Highest Number of Available Compounds (92 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
5HT6R_HUMAN	P50406	CHEMBL3371	Serotonin 6 (5-HT6) receptor	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2A_HUMAN	P28223	CHEMBL224	Serotonin 2a (5-HT2a) receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1A_RAT	P19327	CHEMBL273	Serotonin 1a (5-HT1a) receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1B_RAT	P28564	CHEMBL3459	Serotonin 1b (5-HT1b) receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2A_RAT	P14842	CHEMBL322	Serotonin 2a (5-HT2a) receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_RAT	P08909	CHEMBL324	Serotonin 2c (5-HT2c) receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
COMT_RAT	P22734	CHEMBL2372	Catechol O-methyltransferase	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1D_HUMAN	P28221	CHEMBL1983	Serotonin 1d (5-HT1d) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1D_RAT	P28565	CHEMBL5450	Serotonin 1d (5-HT1d) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1F_RAT	P30940	CHEMBL4646	Serotonin 1f (5-HT1f) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2B_RAT	P30994	CHEMBL323	Serotonin 2b (5-HT2b) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH1_HUMAN	P00915	CHEMBL261	Carbonic anhydrase I	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH2_HUMAN	P00918	CHEMBL205	Carbonic anhydrase II	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_RAT	P61169	CHEMBL339	Dopamine D2 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HCAR2_RAT	Q80Z39	CHEMBL4731	HM74 nicotinic acid GPCR	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH3_HUMAN	Q9Y5N1	CHEMBL264	Histamine H3 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SIRT1_HUMAN	Q96EB6	CHEMBL4506	NAD-dependent deacetylase sirtuin 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
VMAT2_BOVIN	Q27963	CHEMBL4271	Synaptic vesicular amine transporter	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
VMAT2_RAT	Q01827	CHEMBL4828	Synaptic vesicular amine transporter	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
5HT2C_HUMAN	P28335	CHEMBL225	Serotonin 2c (5-HT2c) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT4R_HUMAN	Q13639	CHEMBL1875	Serotonin 4 (5-HT4) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT4R_RAT	Q62758	CHEMBL4317	Serotonin 4 (5-HT4) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT5A_RAT	P35364	CHEMBL4655	Serotonin 5a (5-HT5a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT5B_RAT	P35365	CHEMBL2619	Serotonin 5b (5-HT5b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT6R_RAT	P31388	CHEMBL3372	Serotonin 6 (5-HT6) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT7R_HUMAN	P34969	CHEMBL3155	Serotonin 7 (5-HT7) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT7R_RAT	P32305	CHEMBL3223	Serotonin 7 (5-HT7) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
A3EZI9_9HEPC	A3EZI9	CHEMBL4893	Hepatitis C virus NS3 protease/helicase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_HUMAN	P22303	CHEMBL220	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA7_HUMAN	P36544	CHEMBL2492	Neuronal acetylcholine receptor protein alpha-7 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1A_RAT	P43140	CHEMBL319	Alpha-1a adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1B_RAT	P15823	CHEMBL315	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
ADA2B_RAT	P19328	CHEMBL266	Alpha-2b adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2C_RAT	P22086	CHEMBL314	Alpha-2c adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADCY1_HUMAN	Q08828	CHEMBL2899	Brain adenylate cyclase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADCY2_HUMAN	Q08462	CHEMBL3760	Adenylate cyclase type II	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADCY8_HUMAN	P40145	CHEMBL2960	Adenylate cyclase type VIII	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB1_RAT	P18090	CHEMBL3252	Beta-1 adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB2_RAT	P10608	CHEMBL3754	Beta-2 adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB3_RAT	P26255	CHEMBL4031	Beta-3 adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AMPM_ECOLI	P0AE18	CHEMBL3423	Methionine aminopeptidase	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
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
CAH9_HUMAN	Q16790	CHEMBL3594	Carbonic anhydrase IX	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CDK2_HUMAN	P24941	CHEMBL301	Cyclin-dependent kinase 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EST1_HUMAN	P23141	CHEMBL2265	Acyl coenzyme A:cholesterol acyltransferase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH1_HUMAN	P35367	CHEMBL231	Histamine H1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH1_RAT	P31390	CHEMBL4701	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_MOUSE	P58406	CHEMBL3263	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
HRH4_MOUSE	Q91ZY2	CHEMBL5657	Histamine H4 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH4_RAT	Q91ZY1	CHEMBL4468	Histamine H4 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KITH_HHV1S	P06479	CHEMBL1820	Thymidine kinase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KITH_HUMAN	P04183	CHEMBL2883	Thymidine kinase, cytosolic	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LOX12_HUMAN	P18054	CHEMBL3687	Arachidonate 12-lipoxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LOX15_HUMAN	P16050	CHEMBL2903	Arachidonate 15-lipoxygenase	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
NMD3A_HUMAN	Q8TCU5	CHEMBL4787	Glutamate [NMDA] receptor subunit 3A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMD3B_HUMAN	O60391	CHEMBL2913	Glutamate [NMDA] receptor subunit 3B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDE1_HUMAN	Q12879	CHEMBL1972	Glutamate [NMDA] receptor subunit epsilon 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDE2_HUMAN	Q13224	CHEMBL1904	Glutamate [NMDA] receptor subunit epsilon 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDE3_HUMAN	Q14957	CHEMBL4109	Glutamate [NMDA] receptor subunit epsilon 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDE3_RAT	Q00961	CHEMBL401	Glutamate [NMDA] receptor subunit epsilon 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDE4_HUMAN	O15399	CHEMBL2591	Glutamate [NMDA] receptor subunit epsilon 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDZ1_HUMAN	Q05586	CHEMBL2015	Glutamate (NMDA) receptor subunit zeta 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NOS1_HUMAN	P29475	CHEMBL3568	Nitric-oxide synthase, brain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NOS1_RAT	P29476	CHEMBL3048	Nitric-oxide synthase, brain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PERM_HUMAN	P05164	CHEMBL2439	Myeloperoxidase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PPBT_HUMAN	P05186	CHEMBL5979	Alkaline phosphatase, tissue-nonspecific isozyme	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q63380_RAT	Q63380	CHEMBL6184	Transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q9WTR4_RAT	Q9WTR4	CHEMBL304	Norepinephrine transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A2_HUMAN	P23975	CHEMBL222	Norepinephrine transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A3_HUMAN	Q01959	CHEMBL238	Dopamine transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A4_HUMAN	P31645	CHEMBL228	Serotonin transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A4_RAT	P31652	CHEMBL313	Serotonin transporter	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
Z104283	Z104283	CHEMBL1907589	Neuronal acetylcholine receptor; alpha4/beta2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104304	Z104304	CHEMBL1907610	Adrenergic receptor alpha-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase