ZINC 12

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Aromalake BB

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

Binding 1μM Targets with Highest Number of Available Compounds (107 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
Z104301	Z104301	CHEMBL1907607	GABA-A receptor; anion channel	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA3R_HUMAN	P33765	CHEMBL256	Adenosine A3 receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH2_HUMAN	P00918	CHEMBL205	Carbonic anhydrase II	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1A_RAT	P19327	CHEMBL273	Serotonin 1a (5-HT1a) 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_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
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
ACES_HUMAN	P22303	CHEMBL220	Acetylcholinesterase	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
CA2D1_HUMAN	P54289	CHEMBL1919	Voltage-gated calcium channel alpha2/delta subunit 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CA2D1_RAT	P54290	CHEMBL3420	Voltage-gated calcium channel alpha2/delta subunit 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CA2D2_HUMAN	Q9NY47	CHEMBL3896	Voltage-gated calcium channel alpha2/delta subunit 2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CA2D2_RAT	Q8CFG6	CHEMBL3914	Voltage-gated calcium channel alpha2/delta subunit 2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CA2D3_RAT	Q8CFG5	CHEMBL3281	Voltage-gated calcium channel alpha2/delta subunit 3	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EST1_HUMAN	P23141	CHEMBL2265	Acyl coenzyme A:cholesterol acyltransferase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NOS2_HUMAN	P35228	CHEMBL4481	Nitric oxide synthase, inducible	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OXDA_HUMAN	P14920	CHEMBL5485	D-amino-acid oxidase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q3I4V7_CRYNV	Q3I4V7	CHEMBL1697676	Carbonic anhydrase 2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100081	Z100081	CHEMBL613107	PBMC (Peripheral blood mononuclear cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104304	Z104304	CHEMBL1907610	Adrenergic receptor alpha-1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50587	Z50587	CHEMBL372	Homo sapiens	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
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
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
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
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
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
AKT2_HUMAN	P31751	CHEMBL2431	Serine/threonine-protein kinase AKT2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AKT3_HUMAN	Q9Y243	CHEMBL4816	Serine/threonine-protein kinase AKT3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AOFB_BOVIN	P56560	CHEMBL2756	Monoamine oxidase B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ATP4A_HUMAN	P20648	CHEMBL1802	Potassium-transporting ATPase alpha chain 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ATP4B_HUMAN	P51164	CHEMBL5207	Potassium-transporting ATPase beta chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CA2D3_HUMAN	Q8IZS8	CHEMBL3763	Voltage-gated calcium channel alpha2/delta subunit 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CA2D4_HUMAN	Q7Z3S7	CHEMBL5376	Voltage-gated calcium channel alpha2/delta-4 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH15_MOUSE	Q99N23	CHEMBL5973	Carbonic anhydrase 15	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH4_HUMAN	P22748	CHEMBL3729	Carbonic anhydrase IV	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CASP3_HUMAN	P42574	CHEMBL2334	Caspase-3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CATK_HUMAN	P43235	CHEMBL268	Cathepsin K	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_RAT	P61169	CHEMBL339	Dopamine D2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRTS_PLAFK	P13922	CHEMBL1939	Dihydrofolate reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRTS_TOXGO	Q07422	CHEMBL2425	Dihydrofolate reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DYR_HUMAN	P00374	CHEMBL202	Dihydrofolate reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DYR_PNECA	P16184	CHEMBL1926	Dihydrofolate reductase	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
FA10_HUMAN	P00742	CHEMBL244	Coagulation factor X	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
FYN_HUMAN	P06241	CHEMBL1841	Tyrosine-protein kinase FYN	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GABR1_HUMAN	Q9UBS5	CHEMBL2064	GABA-B receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GABR1_RAT	Q9Z0U4	CHEMBL2753	GABA-B receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GABR2_HUMAN	O75899	CHEMBL5034	GABA-B receptor 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GABR2_RAT	O88871	CHEMBL4686	GABA-B receptor 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRB1_RAT	P15431	CHEMBL334	GABA receptor beta-1 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRB2_RAT	P63138	CHEMBL295	GABA receptor beta-2 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRB3_RAT	P63079	CHEMBL316	GABA receptor beta-3 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GSK3B_HUMAN	P49841	CHEMBL262	Glycogen synthase kinase-3 beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HCAR2_HUMAN	Q8TDS4	CHEMBL3785	Nicotinic acid receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KAP2_BOVIN	P00515	CHEMBL3654	cAMP-dependent protein kinase type II-alpha regulatory subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KAP3_BOVIN	P31322	CHEMBL3280	cAMP-dependent protein kinase type II-beta regulatory subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KAPCA_BOVIN	P00517	CHEMBL2654	cAMP-dependent protein kinase alpha-catalytic subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KAPCA_HUMAN	P17612	CHEMBL4101	cAMP-dependent protein kinase alpha-catalytic subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KAPCB_BOVIN	P05131	CHEMBL3279	cAMP-dependent protein kinase beta-1 catalytic subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KGP1_HUMAN	Q13976	CHEMBL4273	cGMP-dependent protein kinase 1 beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KGP2_HUMAN	Q13237	CHEMBL2896	cGMP-dependent protein kinase 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KS6A5_HUMAN	O75582	CHEMBL4237	Ribosomal protein S6 kinase alpha 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KS6B1_HUMAN	P23443	CHEMBL4501	Ribosomal protein S6 kinase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LCK_HUMAN	P06239	CHEMBL258	Tyrosine-protein kinase LCK	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LUCI_PHOPY	P08659	CHEMBL5567	Luciferin 4-monooxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MGMT_HUMAN	P16455	CHEMBL2864	6-O-methylguanine-DNA methyltransferase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MP2K1_HUMAN	Q02750	CHEMBL3587	Dual specificity mitogen-activated protein kinase kinase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MP2K2_HUMAN	P36507	CHEMBL2964	Dual specificity mitogen-activated protein kinase kinase 2	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
O77773_PIG	O77773	CHEMBL3985	Voltage-dependent calcium channel alpha2delta subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OXDA_PIG	P00371	CHEMBL6172	D-amino-acid oxidase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH1_HUMAN	P23219	CHEMBL221	Cyclooxygenase-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH2_HUMAN	P35354	CHEMBL230	Cyclooxygenase-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PNMT_HUMAN	P11086	CHEMBL4617	Phenylethanolamine N-methyltransferase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q5AJ71_CANAL	Q5AJ71	CHEMBL5337	Carbonic anhydrase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q96W81_ASPFM	Q96W81	CHEMBL1681624	14-alpha sterol demethylase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ROCK2_HUMAN	O75116	CHEMBL2973	Rho-associated protein kinase 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ROCK2_RAT	Q62868	CHEMBL5490	Rho-associated protein kinase 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
THRB_HUMAN	P00734	CHEMBL204	Thrombin	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
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
TYSY_ECOLI	P0A884	CHEMBL2555	Thymidylate synthase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TYSY_HUMAN	P04818	CHEMBL1952	Thymidylate synthase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TYSY_MOUSE	P07607	CHEMBL3160	Thymidylate synthase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Y1284_MYCTU	P64797	CHEMBL5631	Uncharacterized protein Rv1284/MT1322	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104283	Z104283	CHEMBL1907589	Neuronal acetylcholine receptor; alpha4/beta2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase