ZINC 12

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  ZINC ID or SMILES

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FDA-approved drugs (via DSSTOX)

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

ADME/T 10μM Targets with Highest Number of Available Compounds (31 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
CP2D6_HUMAN	P10635	CHEMBL289	Cytochrome P450 2D6	15	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2C9_HUMAN	P11712	CHEMBL3397	Cytochrome P450 2C9	14	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP3A4_HUMAN	P08684	CHEMBL340	Cytochrome P450 3A4	12	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADO_HUMAN	Q06278	CHEMBL3257	Aldehyde oxidase	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2DQ_RAT	P10634	CHEMBL2483	Cytochrome P450 2D2	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADO_RAT	Q9Z0U5	CHEMBL1641355	Aldehyde oxidase	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2B6_HUMAN	P20813	CHEMBL4729	Cytochrome P450 2B6	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2CJ_HUMAN	P33261	CHEMBL3622	Cytochrome P450 2C19	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADO_RABIT	P80456	CHEMBL1641356	Aldehyde oxidase	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2A6_HUMAN	P11509	CHEMBL5282	Cytochrome P450 2A6	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADO_MACFA	Q5FB27	CHEMBL1641357	Aldehyde oxidase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADO_MOUSE	O54754	CHEMBL1641354	Aldehyde oxidase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ALBU_HUMAN	P02768	CHEMBL3253	Serum albumin	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2A5_MOUSE	P20852	CHEMBL4085	Cytochrome P450 2A5	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80409	Z80409	CHEMBL614385	R2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81135	Z81135	CHEMBL614793	L6 (Skeletal muscle myoblast cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2C8_HUMAN	P10632	CHEMBL3721	Cytochrome P450 2C8	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2DI_RAT	Q64680	CHEMBL4982	Cytochrome P450 2D18	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50418	Z50418	CHEMBL612849	Trypanosoma brucei	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80092	Z80092	CHEMBL614031	CHO-K1 (Ovarian cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80178	Z80178	CHEMBL614040	J774.A1 (Macrophage cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80249	Z80249	CHEMBL614068	MDCK (Kidney cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80253	Z80253	CHEMBL614342	MEF (Embryonic fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80362	Z80362	CHEMBL389	P388 (Lymphoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80897	Z80897	CHEMBL614806	H9 (T-lymphoid cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80936	Z80936	CHEMBL614818	HEK293 (Embryonic kidney fibroblasts)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81115	Z81115	CHEMBL398	KB (Squamous cell carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81325	Z81325	CHEMBL614300	SR (Leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase