ZINC 12

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HMDB Plant

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

Binding 1μM Targets with Highest Number of Available Compounds (77 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
CDK1_HUMAN	P06493	CHEMBL308	Cyclin-dependent kinase 1	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP1B1_HUMAN	Q16678	CHEMBL4878	Cytochrome P450 1B1	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA7_HUMAN	P36544	CHEMBL2492	Neuronal acetylcholine receptor protein alpha-7 subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AOFA_HUMAN	P21397	CHEMBL1951	Monoamine oxidase A	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AOFB_HUMAN	P27338	CHEMBL2039	Monoamine oxidase B	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH7_HUMAN	P43166	CHEMBL2326	Carbonic anhydrase VII	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP19A_HUMAN	P11511	CHEMBL1978	Cytochrome P450 19A1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR1_HUMAN	P03372	CHEMBL206	Estrogen receptor alpha	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR2_HUMAN	Q92731	CHEMBL242	Estrogen receptor beta	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q7ZJM1_9HIV1	Q7ZJM1	CHEMBL3471	Human immunodeficiency virus type 1 integrase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q965D5_PLAFA	Q965D5	CHEMBL4150	Enoyl-acyl-carrier protein reductase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q965D6_PLAFA	Q965D6	CHEMBL4513	3-oxoacyl-acyl-carrier protein reductase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104283	Z104283	CHEMBL1907589	Neuronal acetylcholine receptor; alpha4/beta2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
6PGD_HUMAN	P52209	CHEMBL3404	6-phosphogluconate dehydrogenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_ELEEL	O42275	CHEMBL4078	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_TORCA	P04058	CHEMBL4780	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2A_HUMAN	P08913	CHEMBL1867	Alpha-2a adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2C_HUMAN	P18825	CHEMBL1916	Alpha-2c adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AHR_HUMAN	P35869	CHEMBL3201	Aryl hydrocarbon receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
BCL2_HUMAN	P10415	CHEMBL4860	Apoptosis regulator Bcl-2	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
CSK21_HUMAN	P68400	CHEMBL3629	Casein kinase II alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CSK21_RAT	P19139	CHEMBL2661	Casein kinase II alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CSK2B_RAT	P67874	CHEMBL2463	Casein kinase II beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DHB2_HUMAN	P37059	CHEMBL2789	Estradiol 17-beta-dehydrogenase 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DUOX2_HUMAN	Q9NRD8	CHEMBL3293	Thyroid oxidase 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EGFR_HUMAN	P00533	CHEMBL203	Epidermal growth factor receptor erbB1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ERG1_RAT	P52020	CHEMBL4241	Squalene monooxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ERR1_HUMAN	P11474	CHEMBL3429	Estrogen-related receptor alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ERR2_HUMAN	O95718	CHEMBL3751	Estrogen-related receptor beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
G6PD_YEAST	P11412	CHEMBL1075249	Glucose-6-phosphate 1-dehydrogenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA1_HUMAN	P14867	CHEMBL1962	GABA receptor alpha-1 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA2_HUMAN	P47869	CHEMBL4956	GABA receptor alpha-2 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA3_HUMAN	P34903	CHEMBL3026	GABA receptor alpha-3 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA4_HUMAN	P48169	CHEMBL2472	GABA receptor alpha-4 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA5_HUMAN	P31644	CHEMBL5112	GABA receptor alpha-5 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA6_HUMAN	Q16445	CHEMBL2579	GABA receptor alpha-6 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRB1_HUMAN	P18505	CHEMBL4558	GABA receptor beta-1 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRB2_HUMAN	P47870	CHEMBL1920	GABA receptor beta-2 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRB3_HUMAN	P28472	CHEMBL1847	GABA receptor beta-3 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRD_HUMAN	O14764	CHEMBL3591	GABA receptor delta subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRE_HUMAN	P78334	CHEMBL4635	GABA receptor epsilon subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRG1_HUMAN	Q8N1C3	CHEMBL4044	GABA receptor gamma-1 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRG2_HUMAN	P18507	CHEMBL1788	GABA receptor gamma-2 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRG3_HUMAN	Q99928	CHEMBL2739	GABA receptor gamma-3 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRP_HUMAN	O00591	CHEMBL3506	GABA receptor pi subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRT_HUMAN	Q9UN88	CHEMBL2843	GABA receptor theta subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GSK3A_HUMAN	P49840	CHEMBL2850	Glycogen synthase kinase-3 alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GSK3B_HUMAN	P49841	CHEMBL262	Glycogen synthase kinase-3 beta	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_HUMAN	P22694	CHEMBL2918	cAMP-dependent protein kinase beta-1 catalytic subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KAPCG_HUMAN	P22612	CHEMBL2743	cAMP-dependent protein kinase, gamma catalytic subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LGUL_HUMAN	Q04760	CHEMBL2424	Glyoxalase I	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUA4_HUMAN	O00483	CHEMBL2317	NADH-ubiquinone oxidoreductase MLRQ subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUA6_HUMAN	P56556	CHEMBL2103	NADH-ubiquinone oxidoreductase B14 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUA8_HUMAN	P51970	CHEMBL3294	NADH-ubiquinone oxidoreductase 19 kDa subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUAA_HUMAN	O95299	CHEMBL2089	NADH-ubiquinone oxidoreductase 42 kDa subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUAB_HUMAN	Q86Y39	CHEMBL2348	NADH-ubiquinone oxidoreductase subunit B14.7	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUB5_HUMAN	O43674	CHEMBL4337	NADH-ubiquinone oxidoreductase SGDH subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUB6_HUMAN	O95139	CHEMBL2192	NADH-ubiquinone oxidoreductase B17 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUB7_HUMAN	P17568	CHEMBL2357	NADH-ubiquinone oxidoreductase B18 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUS2_HUMAN	O75306	CHEMBL3039	NADH-ubiquinone oxidoreductase 49 kDa subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUS8_HUMAN	O00217	CHEMBL2090	NADH-ubiquinone oxidoreductase 23 kDa subunit,	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NOX4_HUMAN	Q9NPH5	CHEMBL1250375	NADPH oxidase 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NU1M_HUMAN	P03886	CHEMBL2111	NADH-ubiquinone oxidoreductase chain 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NU2M_HUMAN	P03891	CHEMBL2515	NADH-ubiquinone oxidoreductase chain 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NU3M_HUMAN	P03897	CHEMBL4643	NADH-ubiquinone oxidoreductase chain 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NU4M_HUMAN	P03905	CHEMBL4499	NADH-ubiquinone oxidoreductase chain 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NU5M_HUMAN	P03915	CHEMBL3098	NADH-ubiquinone oxidoreductase chain 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NU6M_HUMAN	P03923	CHEMBL2087	NADH-ubiquinone oxidoreductase chain 6	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q72547_9HIV1	Q72547	CHEMBL247	Human immunodeficiency virus type 1 reverse transcriptase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q965D7_PLAFA	Q965D7	CHEMBL4512	Fatty acid synthase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC5A7_MOUSE	Q8BGY9	CHEMBL3013	Choline transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SRC_HUMAN	P12931	CHEMBL267	Tyrosine-protein kinase SRC	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TOP1_RAT	Q9WUL0	CHEMBL1075164	DNA topoisomerase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
XDH_HUMAN	P47989	CHEMBL1929	Xanthine dehydrogenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104301	Z104301	CHEMBL1907607	GABA-A receptor; anion channel	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase