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

Otava Premium BB

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)
CP2A6_HUMAN	P11509	CHEMBL5282	Cytochrome P450 2A6	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2A5_MOUSE	P20852	CHEMBL4085	Cytochrome P450 2A5	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP1A1_HUMAN	P04798	CHEMBL2231	Cytochrome P450 1A1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP1A2_HUMAN	P05177	CHEMBL3356	Cytochrome P450 1A2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2B1_RAT	P00176	CHEMBL3335	Cytochrome P450 2B1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2B6_HUMAN	P20813	CHEMBL4729	Cytochrome P450 2B6	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2C8_HUMAN	P10632	CHEMBL3721	Cytochrome P450 2C8	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2C9_HUMAN	P11712	CHEMBL3397	Cytochrome P450 2C9	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2CJ_HUMAN	P33261	CHEMBL3622	Cytochrome P450 2C19	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2E1_HUMAN	P05181	CHEMBL5281	Cytochrome P450 2E1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80936	Z80936	CHEMBL614818	HEK293 (Embryonic kidney fibroblasts)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase