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

StruChem BB

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

ADME/T 10μM Targets with Highest Number of Available Compounds (46 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
CP2D6_HUMAN	P10635	CHEMBL289	Cytochrome P450 2D6	11	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP3A4_HUMAN	P08684	CHEMBL340	Cytochrome P450 3A4	11	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2C9_HUMAN	P11712	CHEMBL3397	Cytochrome P450 2C9	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2A5_MOUSE	P20852	CHEMBL4085	Cytochrome P450 2A5	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP1A1_HUMAN	P04798	CHEMBL2231	Cytochrome P450 1A1	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP1A2_HUMAN	P05177	CHEMBL3356	Cytochrome P450 1A2	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADO_HUMAN	Q06278	CHEMBL3257	Aldehyde oxidase	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP1B1_HUMAN	Q16678	CHEMBL4878	Cytochrome P450 1B1	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2A6_HUMAN	P11509	CHEMBL5282	Cytochrome P450 2A6	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2B6_HUMAN	P20813	CHEMBL4729	Cytochrome P450 2B6	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2DQ_RAT	P10634	CHEMBL2483	Cytochrome P450 2D2	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80897	Z80897	CHEMBL614806	H9 (T-lymphoid cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80936	Z80936	CHEMBL614818	HEK293 (Embryonic kidney fibroblasts)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80005	Z80005	CHEMBL614077	3T3 (Fibroblast cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80901	Z80901	CHEMBL614392	HaCaT (Keratinocytes)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80928	Z80928	CHEMBL394	HCT-116 (Colon carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81135	Z81135	CHEMBL614793	L6 (Skeletal muscle myoblast cells)	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_RAT	Q9Z0U5	CHEMBL1641355	Aldehyde oxidase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ALBU_HUMAN	P02768	CHEMBL3253	Serum albumin	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2CJ_HUMAN	P33261	CHEMBL3622	Cytochrome P450 2C19	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP2DI_RAT	Q64680	CHEMBL4982	Cytochrome P450 2D18	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100091	Z100091	CHEMBL614666	HS27 (Fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103203	Z103203	CHEMBL1075388	A375	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
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia 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
Z80192	Z80192	CHEMBL614709	KM12 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80291	Z80291	CHEMBL614181	MRC5 (Embryonic lung fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80335	Z80335	CHEMBL614200	NHDF	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80409	Z80409	CHEMBL614385	R2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80608	Z80608	CHEMBL614393	ZR-75-1 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80704	Z80704	CHEMBL614358	BJ (Foreskin fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80954	Z80954	CHEMBL614071	HFF (Foreskin fibroblasts)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80957	Z80957	CHEMBL614734	HMEC (Microvascular endothelial cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81115	Z81115	CHEMBL398	KB (Squamous cell carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81137	Z81137	CHEMBL612267	L929 (Fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81244	Z81244	CHEMBL614123	J774 (Macrophage cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81335	Z81335	CHEMBL612263	HCT-15 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase