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

TimTec Make-on-Demand

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

Functional 10μM Targets with Highest Number of Available Compounds (87 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
5HT2B_HUMAN	P41595	CHEMBL1833	Serotonin 2b (5-HT2b) receptor	16	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	12	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50607	Z50607	CHEMBL378	Human immunodeficiency virus 1	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50459	Z50459	CHEMBL367	Leishmania donovani	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50587	Z50587	CHEMBL372	Homo sapiens	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM5_RAT	P31424	CHEMBL2564	Metabotropic glutamate receptor 5	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50467	Z50467	CHEMBL612884	Trichomonas vaginalis	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50468	Z50468	CHEMBL612652	Giardia intestinalis	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80418	Z80418	CHEMBL612557	RAW264.7 (Monocytic-macrophage leukemia cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR1_HUMAN	P03372	CHEMBL206	Estrogen receptor alpha	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR2_HUMAN	Q92731	CHEMBL242	Estrogen receptor beta	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50606	Z50606	CHEMBL613497	Hepatitis B virus	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80362	Z80362	CHEMBL389	P388 (Lymphoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80682	Z80682	CHEMBL392	A549 (Lung carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80928	Z80928	CHEMBL394	HCT-116 (Colon carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81331	Z81331	CHEMBL612262	SW-620 (Colon adenocarcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB3_HUMAN	P13945	CHEMBL246	Beta-3 adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CNR2_HUMAN	P34972	CHEMBL253	Cannabinoid CB2 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DHI1_MOUSE	P50172	CHEMBL3910	11-beta-hydroxysteroid dehydrogenase 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S1PR4_HUMAN	O95977	CHEMBL3230	Sphingosine 1-phosphate receptor Edg-6	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB2B_BOVIN	Q6B856	CHEMBL3394	Tubulin beta chain	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100494	Z100494	CHEMBL612655	C2C12 (Myoblast cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100748	Z100748	CHEMBL613710	Neutrophils	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50324	Z50324	CHEMBL612710	Arabidopsis thaliana	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50592	Z50592	CHEMBL374	Oryctolagus cuniculus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50609	Z50609	CHEMBL613499	Simian immunodeficiency virus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80006	Z80006	CHEMBL614510	3T3-L1 (Fibroblast cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80166	Z80166	CHEMBL384	HT-29 (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA2AR_CAVPO	P46616	CHEMBL2605	Adenosine A2a receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1D_RAT	P23944	CHEMBL326	Alpha-1d adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CCR4_HUMAN	P51679	CHEMBL2414	C-C chemokine receptor type 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ECR_AEDAE	P49880	CHEMBL3413	Ecdysone receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EGFR_HUMAN	P00533	CHEMBL203	Epidermal growth factor receptor erbB1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ERBB2_HUMAN	P04626	CHEMBL1824	Receptor protein-tyrosine kinase erbB-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ERBB4_HUMAN	Q15303	CHEMBL3009	Receptor protein-tyrosine kinase erbB-4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
FFAR1_HUMAN	O14842	CHEMBL4422	Free fatty acid receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OXYR_HUMAN	P30559	CHEMBL2049	Oxytocin receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SMO_HUMAN	Q99835	CHEMBL5971	Smoothened homolog	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPV1_HUMAN	Q8NER1	CHEMBL4794	Vanilloid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TTHY_HUMAN	P02766	CHEMBL3194	Transthyretin	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
V1AR_HUMAN	P37288	CHEMBL1889	Vasopressin V1a receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100081	Z100081	CHEMBL613107	PBMC (Peripheral blood mononuclear cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100405	Z100405	CHEMBL613835	MV4-11 (Myeloid leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100492	Z100492	CHEMBL613878	MCF10 (Normal breast epithelial cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100731	Z100731	CHEMBL613842	Bcap37 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101666	Z101666	CHEMBL613904	Bacillus anthracis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101873	Z101873	CHEMBL613215	Leishmania peruviana	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103205	Z103205	CHEMBL1075390	A431	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50457	Z50457	CHEMBL612877	Leishmania amazonensis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50460	Z50460	CHEMBL612879	Leishmania major	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50466	Z50466	CHEMBL368	Trypanosoma cruzi	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50594	Z50594	CHEMBL375	Mus musculus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50600	Z50600	CHEMBL613493	Vaccinia virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50725	Z50725	CHEMBL612348	Trypanosoma brucei rhodesiense	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80035	Z80035	CHEMBL381	B16 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80037	Z80037	CHEMBL614065	Balb/MK	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80136	Z80136	CHEMBL614297	FM3A (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80164	Z80164	CHEMBL614580	HT-1080 (Fibrosarcoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80211	Z80211	CHEMBL614721	LoVo (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80387	Z80387	CHEMBL612556	PC-12 (Adrenal phaeochromacytoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80390	Z80390	CHEMBL390	PC-3 (Prostate carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80427	Z80427	CHEMBL614879	RKO (Colon carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80466	Z80466	CHEMBL614907	SF268	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80475	Z80475	CHEMBL613834	SK-BR-3 (Breast adenocarcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80491	Z80491	CHEMBL614163	SK-N-MC (Neuroepithelioma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80526	Z80526	CHEMBL612544	SW480 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80712	Z80712	CHEMBL614361	T47D (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80852	Z80852	CHEMBL614069	A-431 (Epidermoid carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80945	Z80945	CHEMBL614735	HEp-2 (Laryngeal carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80957	Z80957	CHEMBL614734	HMEC (Microvascular endothelial cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81020	Z81020	CHEMBL395	HepG2 (Hepatoblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81024	Z81024	CHEMBL396	NCI-H460 (Non-small cell lung carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81047	Z81047	CHEMBL614685	Human T-cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81115	Z81115	CHEMBL398	KB (Squamous cell carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81233	Z81233	CHEMBL614117	M21 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81245	Z81245	CHEMBL614697	MDA-MB-435 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81252	Z81252	CHEMBL400	MDA-MB-231 (Breast adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81280	Z81280	CHEMBL614740	NCI-H226 (Non-small cell lung carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81335	Z81335	CHEMBL612263	HCT-15 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase