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

Aronis BuildingBlocks

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

ADME/T 10μM Targets with Highest Number of Available Compounds (13 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
CP2D6_HUMAN	P10635	CHEMBL289	Cytochrome P450 2D6	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP3A4_HUMAN	P08684	CHEMBL340	Cytochrome P450 3A4	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADO_HUMAN	Q06278	CHEMBL3257	Aldehyde oxidase	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2DQ_RAT	P10634	CHEMBL2483	Cytochrome P450 2D2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADO_MACFA	Q5FB27	CHEMBL1641357	Aldehyde oxidase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADO_MOUSE	O54754	CHEMBL1641354	Aldehyde oxidase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADO_RABIT	P80456	CHEMBL1641356	Aldehyde oxidase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADO_RAT	Q9Z0U5	CHEMBL1641355	Aldehyde oxidase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2B6_HUMAN	P20813	CHEMBL4729	Cytochrome P450 2B6	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2CJ_HUMAN	P33261	CHEMBL3622	Cytochrome P450 2C19	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50418	Z50418	CHEMBL612849	Trypanosoma brucei	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80092	Z80092	CHEMBL614031	CHO-K1 (Ovarian cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80936	Z80936	CHEMBL614818	HEK293 (Embryonic kidney fibroblasts)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase