ZINC 12

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EDASA Scientific

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

Binding 10μM Targets with Highest Number of Available Compounds (106 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
SGMR1_HUMAN	Q99720	CHEMBL287	Sigma opioid receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1A_RAT	P19327	CHEMBL273	Serotonin 1a (5-HT1a) receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2A_RAT	P14842	CHEMBL322	Serotonin 2a (5-HT2a) receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT6R_HUMAN	P50406	CHEMBL3371	Serotonin 6 (5-HT6) receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH2_HUMAN	P00918	CHEMBL205	Carbonic anhydrase II	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NOS1_HUMAN	P29475	CHEMBL3568	Nitric-oxide synthase, brain	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NOS2_HUMAN	P35228	CHEMBL4481	Nitric oxide synthase, inducible	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NOS3_HUMAN	P29474	CHEMBL4803	Nitric-oxide synthase, endothelial	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PPBT_HUMAN	P05186	CHEMBL5979	Alkaline phosphatase, tissue-nonspecific isozyme	3	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
CAH1_HUMAN	P00915	CHEMBL261	Carbonic anhydrase I	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GSK3B_HUMAN	P49841	CHEMBL262	Glycogen synthase kinase-3 beta	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HCAR2_HUMAN	Q8TDS4	CHEMBL3785	Nicotinic acid receptor 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
I23O1_HUMAN	P14902	CHEMBL4685	Indoleamine 2,3-dioxygenase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMD3A_HUMAN	Q8TCU5	CHEMBL4787	Glutamate [NMDA] receptor subunit 3A	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMD3B_HUMAN	O60391	CHEMBL2913	Glutamate [NMDA] receptor subunit 3B	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDE1_HUMAN	Q12879	CHEMBL1972	Glutamate [NMDA] receptor subunit epsilon 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDE2_HUMAN	Q13224	CHEMBL1904	Glutamate [NMDA] receptor subunit epsilon 2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDE3_HUMAN	Q14957	CHEMBL4109	Glutamate [NMDA] receptor subunit epsilon 3	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDE4_HUMAN	O15399	CHEMBL2591	Glutamate [NMDA] receptor subunit epsilon 4	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDZ1_HUMAN	Q05586	CHEMBL2015	Glutamate (NMDA) receptor subunit zeta 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDZ1_RAT	P35439	CHEMBL330	Glutamate (NMDA) receptor subunit zeta 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NOS1_RAT	P29476	CHEMBL3048	Nitric-oxide synthase, brain	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PARP1_HUMAN	P09874	CHEMBL3105	Poly [ADP-ribose] polymerase-1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A3_RAT	P23977	CHEMBL338	Dopamine transporter	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104302	Z104302	CHEMBL1907608	Glutamate NMDA receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104304	Z104304	CHEMBL1907610	Adrenergic receptor alpha-1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1B_RAT	P28564	CHEMBL3459	Serotonin 1b (5-HT1b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1D_RAT	P28565	CHEMBL5450	Serotonin 1d (5-HT1d) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1F_RAT	P30940	CHEMBL4646	Serotonin 1f (5-HT1f) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2A_HUMAN	P28223	CHEMBL224	Serotonin 2a (5-HT2a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_HUMAN	P28335	CHEMBL225	Serotonin 2c (5-HT2c) 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_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
A4_HUMAN	P05067	CHEMBL2487	Beta amyloid A4 protein	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACH10_RAT	Q9JLB5	CHEMBL3461	Neuronal acetylcholine receptor protein alpha-10 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_RAT	P09483	CHEMBL307	Neuronal acetylcholine receptor protein alpha-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
ADA2A_BOVIN	Q28838	CHEMBL4744	Alpha-2a 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_BOVIN	O77700	CHEMBL3523	Alpha-2b adrenergic receptor	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
AK1C3_HUMAN	P42330	CHEMBL4681	Aldo-keto-reductase family 1 member C3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AOFA_HUMAN	P21397	CHEMBL1951	Monoamine oxidase A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AOFB_HUMAN	P27338	CHEMBL2039	Monoamine oxidase B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
APEX1_HUMAN	P27695	CHEMBL5619	DNA-(apurinic or apyrimidinic site) lyase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
B5SU02_9CNID	B5SU02	CHEMBL1075028	Alpha carbonic anhydrase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
C0IX24_9CNID	C0IX24	CHEMBL1649055	Carbonic anhydrase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH12_HUMAN	O43570	CHEMBL3242	Carbonic anhydrase XII	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH15_MOUSE	Q99N23	CHEMBL5973	Carbonic anhydrase 15	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH3_HUMAN	P07451	CHEMBL2885	Carbonic anhydrase III	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
CCR3_HUMAN	P51677	CHEMBL3473	C-C chemokine receptor type 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CHLE_HUMAN	P06276	CHEMBL1914	Butyrylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP51_MYCTU	P0A512	CHEMBL5090	Lanosterol 14-alpha demethylase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CYNT_HELPY	O24855	CHEMBL4211	Carbonic anhydrase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_HUMAN	P14416	CHEMBL217	Dopamine D2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_RAT	P61169	CHEMBL339	Dopamine D2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DYR_HUMAN	P00374	CHEMBL202	Dihydrofolate reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DYR_MYCTU	P0A546	CHEMBL6065	Dihydrofolate reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EDNRA_RAT	P26684	CHEMBL4566	Endothelin receptor ET-A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR2_HUMAN	Q92731	CHEMBL242	Estrogen receptor beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GLRA1_RAT	P07727	CHEMBL3246	Glycine receptor alpha-1 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GLRA2_RAT	P22771	CHEMBL2328	Glycine receptor alpha-2 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GLRA3_RAT	P24524	CHEMBL2677	Glycine receptor alpha-3 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GLRA4_MOUSE	Q61603	CHEMBL3500	Glycine receptor alpha-4 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GLRB_RAT	P20781	CHEMBL4126	Glycine receptor beta chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRID1_HUMAN	Q9ULK0	CHEMBL2936	Glutamate receptor delta-1 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HCAR2_RAT	Q80Z39	CHEMBL4731	HM74 nicotinic acid GPCR	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HS90A_HUMAN	P07900	CHEMBL3880	Heat shock protein HSP 90-alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
I23O1_MOUSE	P28776	CHEMBL1075294	Indoleamine 2,3-dioxygenase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KIF11_HUMAN	P52732	CHEMBL4581	Kinesin-like protein 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LEF_BACAN	P15917	CHEMBL4372	Anthrax lethal factor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MGLL_HUMAN	Q99685	CHEMBL4191	Monoglyceride lipase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDE3_RAT	Q00961	CHEMBL401	Glutamate [NMDA] receptor subunit epsilon 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NOS2_MOUSE	P29477	CHEMBL3464	Nitric oxide synthase, inducible	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NOS3_BOVIN	P29473	CHEMBL4802	Nitric-oxide synthase, endothelial	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P4K2A_HUMAN	Q9BTU6	CHEMBL2251	PI4-kinase type II	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P4K2B_HUMAN	Q8TCG2	CHEMBL3220	PI4-kinase type II beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PI4KA_HUMAN	P42356	CHEMBL3667	PI4-kinase alpha subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PI4KB_HUMAN	Q9UBF8	CHEMBL3268	PI4-kinase beta subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PLD1_HUMAN	Q13393	CHEMBL2536	Phospholipase D1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q5AJ71_CANAL	Q5AJ71	CHEMBL5337	Carbonic anhydrase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q72874_9HIV1	Q72874	CHEMBL243	Human immunodeficiency virus type 1 protease	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q7ZJM1_9HIV1	Q7ZJM1	CHEMBL3471	Human immunodeficiency virus type 1 integrase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q9AQH7_STAAU	Q9AQH7	CHEMBL5643	DnaC helicase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q9NFS5_PLAFA	Q9NFS5	CHEMBL5803	Spermidine synthase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A4_RAT	P31652	CHEMBL313	Serotonin transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
T23O_MOUSE	P48776	CHEMBL1075307	Tryptophan 2,3-dioxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRY1_HUMAN	P07477	CHEMBL209	Trypsin I	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Y1284_MYCTU	P64797	CHEMBL5631	Uncharacterized protein Rv1284/MT1322	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104297	Z104297	CHEMBL1907603	Glutamate NMDA receptor; GRIN1/GRIN2B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104298	Z104298	CHEMBL1907604	Glutamate NMDA receptor; GRIN1/GRIN2A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104301	Z104301	CHEMBL1907607	GABA-A receptor; anion channel	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase