ZINC 12

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TimTec BB Make on Demand

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

Binding 1μM Targets with Highest Number of Available Compounds (104 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
AOFB_HUMAN	P27338	CHEMBL2039	Monoamine oxidase B	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2B_HUMAN	P41595	CHEMBL1833	Serotonin 2b (5-HT2b) receptor	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_HUMAN	P28335	CHEMBL225	Serotonin 2c (5-HT2c) receptor	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2A_HUMAN	P28223	CHEMBL224	Serotonin 2a (5-HT2a) receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ALDR_BOVIN	P16116	CHEMBL3081	Aldose reductase	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GPR44_HUMAN	Q9Y5Y4	CHEMBL5071	G protein-coupled receptor 44	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
THRB_HUMAN	P00734	CHEMBL204	Thrombin	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2A_BOVIN	Q28838	CHEMBL4744	Alpha-2a adrenergic receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH7_HUMAN	P43166	CHEMBL2326	Carbonic anhydrase VII	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH9_HUMAN	Q16790	CHEMBL3594	Carbonic anhydrase IX	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PIM2_HUMAN	Q9P1W9	CHEMBL4523	Serine/threonine-protein kinase PIM2	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TYRO_AGABI	O42713	CHEMBL3318	Tyrosinase	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1A_RAT	P19327	CHEMBL273	Serotonin 1a (5-HT1a) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1B_HUMAN	P28222	CHEMBL1898	Serotonin 1b (5-HT1b) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1B_RAT	P28564	CHEMBL3459	Serotonin 1b (5-HT1b) receptor	2	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
5HT3A_HUMAN	P46098	CHEMBL1899	Serotonin 3a (5-HT3a) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2A_RAT	P22909	CHEMBL327	Alpha-2a adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2B_RAT	P19328	CHEMBL266	Alpha-2b adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2C_RAT	P22086	CHEMBL314	Alpha-2c adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ALDR_RAT	P07943	CHEMBL2622	Aldose reductase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH12_HUMAN	O43570	CHEMBL3242	Carbonic anhydrase XII	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH14_HUMAN	Q9ULX7	CHEMBL3510	Carbonic anhydrase XIV	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH1_HUMAN	P00915	CHEMBL261	Carbonic anhydrase I	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DHB3_HUMAN	P37058	CHEMBL4234	Estradiol 17-beta-dehydrogenase 3	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PCP_HUMAN	P42785	CHEMBL2335	Lysosomal Pro-X carboxypeptidase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PIM1_HUMAN	P11309	CHEMBL2147	Serine/threonine-protein kinase PIM1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SGMR1_RAT	Q9R0C9	CHEMBL3602	Sigma opioid receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104301	Z104301	CHEMBL1907607	GABA-A receptor; anion channel	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104304	Z104304	CHEMBL1907610	Adrenergic receptor alpha-1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1A_HUMAN	P08908	CHEMBL214	Serotonin 1a (5-HT1a) 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_RAT	P14842	CHEMBL322	Serotonin 2a (5-HT2a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2B_RAT	P30994	CHEMBL323	Serotonin 2b (5-HT2b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_RAT	P08909	CHEMBL324	Serotonin 2c (5-HT2c) 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
ACHA7_RAT	Q05941	CHEMBL4980	Neuronal acetylcholine receptor protein alpha-7 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHB4_RAT	P12392	CHEMBL2658	Neuronal acetylcholine receptor protein beta-4 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1A_BOVIN	P18130	CHEMBL4892	Alpha-1a adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1A_HUMAN	P35348	CHEMBL229	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
ADA1B_HUMAN	P35368	CHEMBL232	Alpha-1b adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1D_HUMAN	P25100	CHEMBL223	Alpha-1d adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2A_HUMAN	P08913	CHEMBL1867	Alpha-2a adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2B_HUMAN	P18089	CHEMBL1942	Alpha-2b adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2C_HUMAN	P18825	CHEMBL1916	Alpha-2c adrenergic receptor	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_HUMAN	P15121	CHEMBL1900	Aldose reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AMPM_ECOLI	P0AE18	CHEMBL3423	Methionine aminopeptidase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AOFA_HUMAN	P21397	CHEMBL1951	Monoamine oxidase A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ARY1_HUMAN	P18440	CHEMBL5101	Arylamine N-acetyltransferase 1	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
CAH3_HUMAN	P07451	CHEMBL2885	Carbonic anhydrase III	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
CAH_METTE	P40881	CHEMBL3932	Carbonic anhydrase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
COX2_SHEEP	O78750	CHEMBL1250404	Cytochrome c oxidase subunit 2	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
DRTS_PLAFK	P13922	CHEMBL1939	Dihydrofolate reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EST1_HUMAN	P23141	CHEMBL2265	Acyl coenzyme A:cholesterol acyltransferase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EST1_RABIT	P12337	CHEMBL2623	Acyl coenzyme A:cholesterol acyltransferase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EST2_HUMAN	O00748	CHEMBL3180	Carboxylesterase 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HDA10_HUMAN	Q969S8	CHEMBL5103	Histone deacetylase 10	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HDAC1_HUMAN	Q13547	CHEMBL325	Histone deacetylase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HDAC2_HUMAN	Q92769	CHEMBL1937	Histone deacetylase 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HDAC3_HUMAN	O15379	CHEMBL1829	Histone deacetylase 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HDAC4_HUMAN	P56524	CHEMBL3524	Histone deacetylase 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HDAC5_HUMAN	Q9UQL6	CHEMBL2563	Histone deacetylase 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HDAC6_HUMAN	Q9UBN7	CHEMBL1865	Histone deacetylase 6	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HDAC8_HUMAN	Q9BY41	CHEMBL3192	Histone deacetylase 8	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HDAC9_HUMAN	Q9UKV0	CHEMBL4145	Histone deacetylase 9	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HS90A_HUMAN	P07900	CHEMBL3880	Heat shock protein HSP 90-alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KCNN3_RAT	P70605	CHEMBL3780	Small conductance calcium-activated potassium channel protein 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LUCI_PHOPE	Q27757	CHEMBL5150	Luciferin 4-monooxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LUCI_PHOPY	P08659	CHEMBL5567	Luciferin 4-monooxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PARP1_HUMAN	P09874	CHEMBL3105	Poly [ADP-ribose] polymerase-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH2_SHEEP	P79208	CHEMBL4102	Cyclooxygenase-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PPBT_HUMAN	P05186	CHEMBL5979	Alkaline phosphatase, tissue-nonspecific isozyme	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A3_RAT	P23977	CHEMBL338	Dopamine transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SGMR1_HUMAN	Q99720	CHEMBL287	Sigma opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBA1A_PIG	P02550	CHEMBL3658	Tubulin alpha chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBA1A_RAT	P68370	CHEMBL4139	Tubulin alpha-1 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB1_HUMAN	Q9H4B7	CHEMBL1915	Tubulin beta-1 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB2B_BOVIN	Q6B856	CHEMBL3394	Tubulin beta chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB3_HUMAN	Q13509	CHEMBL2597	Tubulin beta-3 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB4A_HUMAN	P04350	CHEMBL3838	Tubulin beta-4 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB4B_HUMAN	P68371	CHEMBL1848	Tubulin beta-2 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB5_HUMAN	P07437	CHEMBL5444	Tubulin beta-5 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB8_HUMAN	Q3ZCM7	CHEMBL4024	Tubulin beta-8 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRY1_BOVIN	P00760	CHEMBL3769	Trypsin I	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRY1_HUMAN	P07477	CHEMBL209	Trypsin I	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TTHY_HUMAN	P02766	CHEMBL3194	Transthyretin	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase