ZINC 12

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  ZINC ID or SMILES

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TimTec BB Make on Demand

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

Functional 10μM Targets with Highest Number of Available Compounds (91 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
5HT2C_HUMAN	P28335	CHEMBL225	Serotonin 2c (5-HT2c) receptor	35	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2B_HUMAN	P41595	CHEMBL1833	Serotonin 2b (5-HT2b) receptor	28	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2A_HUMAN	P28223	CHEMBL224	Serotonin 2a (5-HT2a) receptor	25	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50467	Z50467	CHEMBL612884	Trichomonas vaginalis	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50468	Z50468	CHEMBL612652	Giardia intestinalis	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GPR44_HUMAN	Q9Y5Y4	CHEMBL5071	G protein-coupled receptor 44	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80035	Z80035	CHEMBL381	B16 (Melanoma cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80418	Z80418	CHEMBL612557	RAW264.7 (Monocytic-macrophage leukemia cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ECR_AEDAE	P49880	CHEMBL3413	Ecdysone receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TAAR1_HUMAN	Q96RJ0	CHEMBL5857	Trace amine-associated receptor 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB2B_BOVIN	Q6B856	CHEMBL3394	Tubulin beta chain	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50600	Z50600	CHEMBL613493	Vaccinia virus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80166	Z80166	CHEMBL384	HT-29 (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80211	Z80211	CHEMBL614721	LoVo (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80244	Z80244	CHEMBL614335	MDA-MB-468 (Breast adenocarcinoma)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80682	Z80682	CHEMBL392	A549 (Lung carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81335	Z81335	CHEMBL612263	HCT-15 (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1D_HUMAN	P28221	CHEMBL1983	Serotonin 1d (5-HT1d) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA1R_RAT	P25099	CHEMBL318	Adenosine A1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA2AR_RAT	P30543	CHEMBL302	Adenosine A2a receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA2BR_HUMAN	P29275	CHEMBL255	Adenosine A2b receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR1_HUMAN	P03372	CHEMBL206	Estrogen receptor alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR2_HUMAN	Q92731	CHEMBL242	Estrogen receptor beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q862F3_BOVIN	Q862F3	CHEMBL4262	Tubulin alpha chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q862L2_BOVIN	Q862L2	CHEMBL3752	Tubulin alpha-1 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBA1A_PIG	P02550	CHEMBL3658	Tubulin alpha chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBA1A_RAT	P68370	CHEMBL4139	Tubulin alpha-1 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBA4A_HUMAN	P68366	CHEMBL2070	Tubulin alpha-1 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB1_HUMAN	Q9H4B7	CHEMBL1915	Tubulin beta-1 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB3_HUMAN	Q13509	CHEMBL2597	Tubulin beta-3 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB4A_HUMAN	P04350	CHEMBL3838	Tubulin beta-4 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB4B_HUMAN	P68371	CHEMBL1848	Tubulin beta-2 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB5_HUMAN	P07437	CHEMBL5444	Tubulin beta-5 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB8_HUMAN	Q3ZCM7	CHEMBL4024	Tubulin beta-8 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TTHY_HUMAN	P02766	CHEMBL3194	Transthyretin	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101682	Z101682	CHEMBL613915	BK polyomavirus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101843	Z101843	CHEMBL613202	Human coxsackievirus B2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102306	Z102306	CHEMBL613606	Aorta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103203	Z103203	CHEMBL1075388	A375	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103205	Z103205	CHEMBL1075390	A431	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50442	Z50442	CHEMBL366	Candida albicans	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50590	Z50590	CHEMBL613488	Sus scrofa	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50607	Z50607	CHEMBL378	Human immunodeficiency virus 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80002	Z80002	CHEMBL614075	1A9 (Ovarian adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80024	Z80024	CHEMBL614518	A9 (Fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80025	Z80025	CHEMBL614519	ACHN (Renal adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80088	Z80088	CHEMBL613853	CHO (Ovarian cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80096	Z80096	CHEMBL614559	CHO-TAX 5-6	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80097	Z80097	CHEMBL614560	CHO-VV 3-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80120	Z80120	CHEMBL614285	DLD-1 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80125	Z80125	CHEMBL613508	DU-145 (Prostate carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80164	Z80164	CHEMBL614580	HT-1080 (Fibrosarcoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80269	Z80269	CHEMBL614354	MKN-45 (Gastric adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80354	Z80354	CHEMBL614213	OVCAR-3 (Ovarian adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80362	Z80362	CHEMBL389	P388 (Lymphoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80390	Z80390	CHEMBL390	PC-3 (Prostate carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80414	Z80414	CHEMBL614628	Raji (B-lymphoblastic 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
Z80493	Z80493	CHEMBL614925	SK-OV-3 (Ovarian carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80526	Z80526	CHEMBL612544	SW480 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80566	Z80566	CHEMBL612794	U-937 (Histiocytic lymphoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80608	Z80608	CHEMBL614393	ZR-75-1 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80711	Z80711	CHEMBL613829	NCI/ADR-RES (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80712	Z80712	CHEMBL614361	T47D (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80720	Z80720	CHEMBL614365	Burkitts lymphoma cells	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80819	Z80819	CHEMBL614484	J774.2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80852	Z80852	CHEMBL614069	A-431 (Epidermoid carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80928	Z80928	CHEMBL394	HCT-116 (Colon carcinoma 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
Z81054	Z81054	CHEMBL613977	SF-268 (Glioblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81072	Z81072	CHEMBL397	Jurkat (Acute leukemic T-cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81115	Z81115	CHEMBL398	KB (Squamous cell carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81170	Z81170	CHEMBL612518	LNCaP (Prostate carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81244	Z81244	CHEMBL614123	J774 (Macrophage 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
Z81281	Z81281	CHEMBL614997	NCI-H23 (Non-small cell lung carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81283	Z81283	CHEMBL614387	NCI-H522 (Non-small cell lung carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81331	Z81331	CHEMBL612262	SW-620 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase