ZINC 12

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  ZINC ID or SMILES

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HMDB Toxin

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

Binding 10μM Targets with Highest Number of Available Compounds (50 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
ACH10_RAT	Q9JLB5	CHEMBL3461	Neuronal acetylcholine receptor protein alpha-10 subunit	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA3_RAT	P04757	CHEMBL3818	Neuronal acetylcholine receptor protein alpha-3 subunit	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA4_RAT	P09483	CHEMBL307	Neuronal acetylcholine receptor protein alpha-4 subunit	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA7_HUMAN	P36544	CHEMBL2492	Neuronal acetylcholine receptor protein alpha-7 subunit	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104283	Z104283	CHEMBL1907589	Neuronal acetylcholine receptor; alpha4/beta2	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
A3EZI9_9HEPC	A3EZI9	CHEMBL4893	Hepatitis C virus NS3 protease/helicase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA2_RAT	P12389	CHEMBL2584	Neuronal acetylcholine receptor protein alpha-2 subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA4_MOUSE	O70174	CHEMBL4457	Neuronal acetylcholine receptor protein alpha-4 subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA5_RAT	P20420	CHEMBL4960	Neuronal acetylcholine receptor protein alpha-5 subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA6_RAT	P43143	CHEMBL4747	Neuronal acetylcholine receptor protein alpha-6 subunit	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
ACHA9_RAT	P43144	CHEMBL2585	Neuronal acetylcholine receptor protein alpha-9 subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA_RAT	P25108	CHEMBL3599	Acetylcholine receptor protein alpha chain	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA_TORCA	P02710	CHEMBL3097	Acetylcholine receptor protein alpha chain	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHB2_RAT	P12390	CHEMBL3001	Neuronal acetylcholine receptor protein beta-2 subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHB3_RAT	P12391	CHEMBL4568	Neuronal acetylcholine receptor protein beta-3 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
ACHB_RAT	P25109	CHEMBL2666	Acetylcholine receptor protein beta chain	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHB_TORCA	P02712	CHEMBL3803	Acetylcholine receptor protein beta chain	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHD_TORCA	P02718	CHEMBL3916	Acetylcholine receptor protein delta chain	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHG_TORCA	P02714	CHEMBL4019	Acetylcholine receptor protein gamma chain	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH2_HUMAN	P00918	CHEMBL205	Carbonic anhydrase II	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP19A_RAT	P22443	CHEMBL3859	Cytochrome P450 19A1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q8BGP7_MOUSE	Q8BGP7	CHEMBL2235	Neuronal acetylcholine receptor protein beta-2 subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104290	Z104290	CHEMBL1907596	Neuronal acetylcholine receptor; alpha4/beta2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_HUMAN	P22303	CHEMBL220	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH12_HUMAN	O43570	CHEMBL3242	Carbonic anhydrase XII	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH1_HUMAN	P00915	CHEMBL261	Carbonic anhydrase I	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
CAH9_HUMAN	Q16790	CHEMBL3594	Carbonic anhydrase IX	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DUOX2_HUMAN	Q9NRD8	CHEMBL3293	Thyroid oxidase 2	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
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
TRPA1_HUMAN	O75762	CHEMBL6007	Transient receptor potential cation channel subfamily A member 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104281	Z104281	CHEMBL1907587	Neuronal acetylcholine receptor; alpha3/beta2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase