ZINC 12

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  ZINC ID or SMILES

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Indofine Natural Products

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

Functional 10μM Targets with Highest Number of Available Compounds (101 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50607	Z50607	CHEMBL378	Human immunodeficiency virus 1	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80390	Z80390	CHEMBL390	PC-3 (Prostate carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81170	Z81170	CHEMBL612518	LNCaP (Prostate carcinoma)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50420	Z50420	CHEMBL612851	Trypanosoma brucei brucei	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50426	Z50426	CHEMBL612856	Plasmodium falciparum (isolate K1 / Thailand)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50466	Z50466	CHEMBL368	Trypanosoma cruzi	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50594	Z50594	CHEMBL375	Mus musculus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80166	Z80166	CHEMBL384	HT-29 (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80244	Z80244	CHEMBL614335	MDA-MB-468 (Breast adenocarcinoma)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80418	Z80418	CHEMBL612557	RAW264.7 (Monocytic-macrophage leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80548	Z80548	CHEMBL614245	THP-1 (Acute monocytic leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80682	Z80682	CHEMBL392	A549 (Lung carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81252	Z81252	CHEMBL400	MDA-MB-231 (Breast adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADCY1_HUMAN	Q08828	CHEMBL2899	Brain adenylate cyclase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADCY2_RAT	P26769	CHEMBL2958	Adenylate cyclase type II	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GPBAR_HUMAN	Q8TDU6	CHEMBL5409	G-protein coupled bile acid receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NR1H4_HUMAN	Q96RI1	CHEMBL2047	Bile acid receptor FXR	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
TBB2B_BOVIN	Q6B856	CHEMBL3394	Tubulin beta 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
Z100499	Z100499	CHEMBL612575	SARS coronavirus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100766	Z100766	CHEMBL613712	Radical scavenging activity	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101682	Z101682	CHEMBL613915	BK polyomavirus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103192	Z103192	CHEMBL1075362	Trypanosoma evansi	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
Z50136	Z50136	CHEMBL612608	Plasmodium falciparum (isolate FcB1 / Columbia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50185	Z50185	CHEMBL352	Staphylococcus aureus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50186	Z50186	CHEMBL353	Staphylococcus epidermidis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50418	Z50418	CHEMBL612849	Trypanosoma brucei	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50472	Z50472	CHEMBL612888	Toxoplasma gondii	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50515	Z50515	CHEMBL370	Human herpesvirus 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50518	Z50518	CHEMBL613124	Human herpesvirus 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50587	Z50587	CHEMBL372	Homo sapiens	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50590	Z50590	CHEMBL613488	Sus scrofa	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
Z50602	Z50602	CHEMBL377	Human herpesvirus 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50651	Z50651	CHEMBL613739	Vesicular stomatitis virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50658	Z50658	CHEMBL380	Human immunodeficiency virus 2	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
Z80035	Z80035	CHEMBL381	B16 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80039	Z80039	CHEMBL614526	BGC-823 (Stomach 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
Z80164	Z80164	CHEMBL614580	HT-1080 (Fibrosarcoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80211	Z80211	CHEMBL614721	LoVo (Colon adenocarcinoma 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
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
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80608	Z80608	CHEMBL614393	ZR-75-1 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80612	Z80612	CHEMBL612818	2008 (Ovarian carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80697	Z80697	CHEMBL614279	Bel-7402 (Hepatoma 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
Z81034	Z81034	CHEMBL614004	A2780 (Ovarian carcinoma cells)	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
Z81186	Z81186	CHEMBL614097	LS174T (Colon adencocarcinoma cells)	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
Z81247	Z81247	CHEMBL399	HeLa (Cervical 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
Z81335	Z81335	CHEMBL612263	HCT-15 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase