ZINC 12

Navigation

• About

  • ZINC
  • BCIRC
  • Irwin Lab
  • Shoichet Lab
  • UCSF
  
  
  • Acknowledgements
  • Facts
  • Usage

• Search

  • By:
  • Text
  • Structure
  • Properties
  • Catalogs
  
  
  • ZINC
  • Targets
  • Rings
  • Combination

• Subsets

  • By:
  • Catalog
  • Property
  • Target
  • Ring
  • Cart

• Help

  • Introduction
  • FAQ
  • Scripting/API
  • Quick Search
  • Problems
  • Filtering
  • History

• Social

  • ZINC Fans
  • Decoy Club
  • DOCK Fans
  • Facebook
  • Twitter
  • Blog
  • Linkedin
• Quick Search

  ZINC ID or SMILES

• General
• Distributions & Clustering
• Downloads
• Targets
• Clustered Targets

DrugBank-experimental

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

ADME/T 10μM Targets with Highest Number of Available Compounds (27 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
CP2C9_HUMAN	P11712	CHEMBL3397	Cytochrome P450 2C9	10	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP3A4_HUMAN	P08684	CHEMBL340	Cytochrome P450 3A4	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2D6_HUMAN	P10635	CHEMBL289	Cytochrome P450 2D6	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP1A2_HUMAN	P05177	CHEMBL3356	Cytochrome P450 1A2	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP1A1_HUMAN	P04798	CHEMBL2231	Cytochrome P450 1A1	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP1B1_HUMAN	Q16678	CHEMBL4878	Cytochrome P450 1B1	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2CJ_HUMAN	P33261	CHEMBL3622	Cytochrome P450 2C19	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80936	Z80936	CHEMBL614818	HEK293 (Embryonic kidney fibroblasts)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2A6_HUMAN	P11509	CHEMBL5282	Cytochrome P450 2A6	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2B6_HUMAN	P20813	CHEMBL4729	Cytochrome P450 2B6	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2E1_HUMAN	P05181	CHEMBL5281	Cytochrome P450 2E1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80291	Z80291	CHEMBL614181	MRC5 (Embryonic lung fibroblast cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADO_HUMAN	Q06278	CHEMBL3257	Aldehyde oxidase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ALBU_HUMAN	P02768	CHEMBL3253	Serum albumin	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2A5_MOUSE	P20852	CHEMBL4085	Cytochrome P450 2A5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2DQ_RAT	P10634	CHEMBL2483	Cytochrome P450 2D2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP3A1_RAT	P04800	CHEMBL3323	Cytochrome P450 3A1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP3A2_RAT	P05183	CHEMBL3324	Cytochrome P450 3A2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80332	Z80332	CHEMBL614198	NFF (Fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80335	Z80335	CHEMBL614200	NHDF	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80418	Z80418	CHEMBL612557	RAW264.7 (Monocytic-macrophage leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80704	Z80704	CHEMBL614358	BJ (Foreskin fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81057	Z81057	CHEMBL613979	HUVEC (Umbilical vein endothelial cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81135	Z81135	CHEMBL614793	L6 (Skeletal muscle myoblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81331	Z81331	CHEMBL612262	SW-620 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase