ZINC 12

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  ZINC ID or SMILES

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Specs Building Blocks

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

Binding 1μM Targets with Highest Number of Available Compounds (124 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
CAH2_HUMAN	P00918	CHEMBL205	Carbonic anhydrase II	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EST1_HUMAN	P23141	CHEMBL2265	Acyl coenzyme A:cholesterol acyltransferase	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1A_RAT	P19327	CHEMBL273	Serotonin 1a (5-HT1a) receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1B_RAT	P28564	CHEMBL3459	Serotonin 1b (5-HT1b) receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1D_RAT	P28565	CHEMBL5450	Serotonin 1d (5-HT1d) receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1F_RAT	P30940	CHEMBL4646	Serotonin 1f (5-HT1f) receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2A_RAT	P14842	CHEMBL322	Serotonin 2a (5-HT2a) receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2B_RAT	P30994	CHEMBL323	Serotonin 2b (5-HT2b) receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_RAT	P08909	CHEMBL324	Serotonin 2c (5-HT2c) receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH6_HUMAN	P23280	CHEMBL3025	Carbonic anhydrase VI	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH9_HUMAN	Q16790	CHEMBL3594	Carbonic anhydrase IX	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EST1_RABIT	P12337	CHEMBL2623	Acyl coenzyme A:cholesterol acyltransferase	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EST2_HUMAN	O00748	CHEMBL3180	Carboxylesterase 2	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A3_HUMAN	Q01959	CHEMBL238	Dopamine transporter	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104304	Z104304	CHEMBL1907610	Adrenergic receptor alpha-1	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_HUMAN	P28335	CHEMBL225	Serotonin 2c (5-HT2c) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_HUMAN	P22303	CHEMBL220	Acetylcholinesterase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA7_RAT	Q05941	CHEMBL4980	Neuronal acetylcholine receptor protein alpha-7 subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHB4_RAT	P12392	CHEMBL2658	Neuronal acetylcholine receptor protein beta-4 subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB1_HUMAN	P08588	CHEMBL213	Beta-1 adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB2_HUMAN	P07550	CHEMBL210	Beta-2 adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB3_HUMAN	P13945	CHEMBL246	Beta-3 adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AK1C3_HUMAN	P42330	CHEMBL4681	Aldo-keto-reductase family 1 member C3	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
C11B1_HUMAN	P15538	CHEMBL1908	Cytochrome P450 11B1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
C11B2_HUMAN	P19099	CHEMBL2722	Cytochrome P450 11B2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH12_HUMAN	O43570	CHEMBL3242	Carbonic anhydrase XII	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH13_HUMAN	Q8N1Q1	CHEMBL3912	Carbonic anhydrase XIII	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH1_HUMAN	P00915	CHEMBL261	Carbonic anhydrase I	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH3_HUMAN	P07451	CHEMBL2885	Carbonic anhydrase III	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH7_HUMAN	P43166	CHEMBL2326	Carbonic anhydrase VII	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMT1_HUMAN	P30419	CHEMBL2593	Peptide N-myristoyltransferase 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMT2_HUMAN	O60551	CHEMBL2849	Peptide N-myristoyltransferase 2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NOS2_HUMAN	P35228	CHEMBL4481	Nitric oxide synthase, inducible	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q3I4V7_CRYNV	Q3I4V7	CHEMBL1697676	Carbonic anhydrase 2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q7ZJM1_9HIV1	Q7ZJM1	CHEMBL3471	Human immunodeficiency virus type 1 integrase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1B_HUMAN	P28222	CHEMBL1898	Serotonin 1b (5-HT1b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1D_HUMAN	P28221	CHEMBL1983	Serotonin 1d (5-HT1d) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1E_HUMAN	P28566	CHEMBL2182	Serotonin 1e (5-HT1e) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2A_HUMAN	P28223	CHEMBL224	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_HUMAN	P46098	CHEMBL1899	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
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
5HT6R_HUMAN	P50406	CHEMBL3371	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
A3EZI9_9HEPC	A3EZI9	CHEMBL4893	Hepatitis C virus NS3 protease/helicase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
A8RR46_BACCS	A8RR46	CHEMBL5439	Beta-lactamase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_BOVIN	P23795	CHEMBL4768	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA2_RAT	P12389	CHEMBL2584	Neuronal acetylcholine receptor protein alpha-2 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA3_RAT	P04757	CHEMBL3818	Neuronal acetylcholine receptor protein alpha-3 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA4_HUMAN	P43681	CHEMBL1882	Neuronal acetylcholine receptor protein alpha-4 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA4_RAT	P09483	CHEMBL307	Neuronal acetylcholine receptor protein alpha-4 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA_TORCA	P02710	CHEMBL3097	Acetylcholine receptor protein alpha chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHB2_RAT	P12390	CHEMBL3001	Neuronal acetylcholine receptor protein beta-2 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHB4_HUMAN	P30926	CHEMBL3002	Neuronal acetylcholine receptor protein beta-4 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHB_TORCA	P02712	CHEMBL3803	Acetylcholine receptor protein beta chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHD_HUMAN	Q07001	CHEMBL3011	Acetylcholine receptor protein delta chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHD_TORCA	P02718	CHEMBL3916	Acetylcholine receptor protein delta chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHG_TORCA	P02714	CHEMBL4019	Acetylcholine receptor protein gamma chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1A_BOVIN	P18130	CHEMBL4892	Alpha-1a adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1A_RAT	P43140	CHEMBL319	Alpha-1a adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2A_BOVIN	Q28838	CHEMBL4744	Alpha-2a adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AK1C1_HUMAN	Q04828	CHEMBL5905	Aldo-keto reductase family 1 member C1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AK1C2_HUMAN	P52895	CHEMBL5847	Aldo-keto reductase family 1 member C2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ALDR_BOVIN	P16116	CHEMBL3081	Aldose reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AMPC_ENTCL	P05364	CHEMBL2725	Beta-lactamase	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
BLAT_ECOLX	P62593	CHEMBL2065	Beta-lactamase TEM	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
C0IX24_9CNID	C0IX24	CHEMBL1649055	Carbonic anhydrase	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
CAH10_HUMAN	Q9NS85	CHEMBL4645	Carbonic anhydrase-related protein 10	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH11_HUMAN	O75493	CHEMBL2420	Carbonic anhydrase-related protein 2	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
CAH8_HUMAN	P35219	CHEMBL2410	Carbonic anhydrase-related protein 8	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH_METTE	P40881	CHEMBL3932	Carbonic anhydrase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CHLE_HUMAN	P06276	CHEMBL1914	Butyrylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP19A_HUMAN	P11511	CHEMBL1978	Cytochrome P450 19A1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CSK21_HUMAN	P68400	CHEMBL3629	Casein kinase II alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CSK22_HUMAN	P19784	CHEMBL4070	Casein kinase II alpha (prime)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CSK2B_HUMAN	P67870	CHEMBL2358	Casein kinase II beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CYNT_HELPY	O24855	CHEMBL4211	Carbonic anhydrase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
D1MIX9_PSEAI	D1MIX9	CHEMBL1250341	Beta-lactamase GES-13	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DHB3_HUMAN	P37058	CHEMBL4234	Estradiol 17-beta-dehydrogenase 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DHI1_HUMAN	P28845	CHEMBL4235	11-beta-hydroxysteroid dehydrogenase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EGFR_HUMAN	P00533	CHEMBL203	Epidermal growth factor receptor erbB1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR1_HUMAN	P03372	CHEMBL206	Estrogen receptor alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR2_HUMAN	Q92731	CHEMBL242	Estrogen receptor beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EST1_PIG	Q29550	CHEMBL3383	Carboxylesterase	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
HRH4_HUMAN	Q9H3N8	CHEMBL3759	Histamine H4 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KMO_RAT	O88867	CHEMBL3457	Kynurenine 3-monooxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MIF_HUMAN	P14174	CHEMBL2085	Macrophage migration inhibitory factor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDZ1_RAT	P35439	CHEMBL330	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
NOS3_HUMAN	P29474	CHEMBL4803	Nitric-oxide synthase, endothelial	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OXDA_HUMAN	P14920	CHEMBL5485	D-amino-acid oxidase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PARP1_HUMAN	P09874	CHEMBL3105	Poly [ADP-ribose] polymerase-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PNMT_BOVIN	P10938	CHEMBL2331	Phenylethanolamine N-methyltransferase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q43570_TOBAC	Q43570	CHEMBL1293200	Zn finger protein	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
TYPH_ECOLI	P07650	CHEMBL3726	Thymidine phosphorylase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104281	Z104281	CHEMBL1907587	Neuronal acetylcholine receptor; alpha3/beta2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104282	Z104282	CHEMBL1907588	Acetylcholine receptor; alpha1/beta1/delta/gamma	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104283	Z104283	CHEMBL1907589	Neuronal acetylcholine receptor; alpha4/beta2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104284	Z104284	CHEMBL1907590	Neuronal acetylcholine receptor; alpha2/beta4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104286	Z104286	CHEMBL1907592	Neuronal acetylcholine receptor; alpha2/beta2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104287	Z104287	CHEMBL1907593	Neuronal acetylcholine receptor; alpha3/beta4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104288	Z104288	CHEMBL1907594	Neuronal acetylcholine receptor; alpha3/beta4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104289	Z104289	CHEMBL1907595	Neuronal acetylcholine receptor; alpha4/beta4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104290	Z104290	CHEMBL1907596	Neuronal acetylcholine receptor; alpha4/beta2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104301	Z104301	CHEMBL1907607	GABA-A receptor; anion channel	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104302	Z104302	CHEMBL1907608	Glutamate NMDA receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase