ZINC 12

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Otava (Virtual)

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

Functional 10μM Targets with Highest Number of Available Compounds (150 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	17	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	13	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80166	Z80166	CHEMBL384	HT-29 (Colon adenocarcinoma cells)	12	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80362	Z80362	CHEMBL389	P388 (Lymphoma cells)	12	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80928	Z80928	CHEMBL394	HCT-116 (Colon carcinoma cells)	12	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81252	Z81252	CHEMBL400	MDA-MB-231 (Breast adenocarcinoma cells)	12	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	11	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81346	Z81346	CHEMBL614313	Melanophores (Melanophore cells)	11	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50607	Z50607	CHEMBL378	Human immunodeficiency virus 1	10	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	10	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	10	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100405	Z100405	CHEMBL613835	MV4-11 (Myeloid leukemia cells)	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM5_HUMAN	P41594	CHEMBL3227	Metabotropic glutamate receptor 5	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80211	Z80211	CHEMBL614721	LoVo (Colon adenocarcinoma cells)	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81057	Z81057	CHEMBL613979	HUVEC (Umbilical vein endothelial cells)	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM5_RAT	P31424	CHEMBL2564	Metabotropic glutamate receptor 5	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50442	Z50442	CHEMBL366	Candida albicans	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80088	Z80088	CHEMBL613853	CHO (Ovarian cells)	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM1_RAT	P23385	CHEMBL4477	Metabotropic glutamate receptor 1	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50512	Z50512	CHEMBL369	Cavia porcellus	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50594	Z50594	CHEMBL375	Mus musculus	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80491	Z80491	CHEMBL614163	SK-N-MC (Neuroepithelioma cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2B_HUMAN	P41595	CHEMBL1833	Serotonin 2b (5-HT2b) receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PTAFR_HUMAN	P25105	CHEMBL250	Platelet activating factor receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPV1_HUMAN	Q8NER1	CHEMBL4794	Vanilloid receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB1_HUMAN	P08588	CHEMBL213	Beta-1 adrenergic receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1D_RAT	P27732	CHEMBL4132	Voltage-gated L-type calcium channel alpha-1D subunit	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GPR44_HUMAN	Q9Y5Y4	CHEMBL5071	G protein-coupled receptor 44	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH3_RAT	Q9QYN8	CHEMBL4124	Histamine H3 receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPV1_RAT	O35433	CHEMBL5102	Vanilloid receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50436	Z50436	CHEMBL365	Filobasidiella neoformans	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50587	Z50587	CHEMBL372	Homo sapiens	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80035	Z80035	CHEMBL381	B16 (Melanoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80532	Z80532	CHEMBL614774	T-24 (Bladder carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1A_HUMAN	P08908	CHEMBL214	Serotonin 1a (5-HT1a) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2A_HUMAN	P28223	CHEMBL224	Serotonin 2a (5-HT2a) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_HUMAN	P28335	CHEMBL225	Serotonin 2c (5-HT2c) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA3R_HUMAN	P33765	CHEMBL256	Adenosine A3 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ATP4A_HUMAN	P20648	CHEMBL1802	Potassium-transporting ATPase alpha chain 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ATP4B_HUMAN	P51164	CHEMBL5207	Potassium-transporting ATPase beta chain	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1C_RABIT	P15381	CHEMBL2830	Voltage-gated L-type calcium channel alpha-1C subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_RAT	P61169	CHEMBL339	Dopamine D2 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD4_HUMAN	P21917	CHEMBL219	Dopamine D4 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KCNH2_HUMAN	Q12809	CHEMBL240	HERG	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MDR1_HUMAN	P08183	CHEMBL4302	P-glycoprotein 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MDR1_MOUSE	P06795	CHEMBL3467	P-glycoprotein 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MDR3_MOUSE	P21447	CHEMBL2573	P-glycoprotein 3	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MTR1A_HUMAN	P48039	CHEMBL1945	Melatonin receptor 1A	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MTR1B_HUMAN	P49286	CHEMBL1946	Melatonin receptor 1B	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDE2_RAT	Q00960	CHEMBL311	Glutamate [NMDA] receptor subunit epsilon 2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMDZ1_RAT	P35439	CHEMBL330	Glutamate (NMDA) receptor subunit zeta 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX7_HUMAN	Q99572	CHEMBL4805	P2X purinoceptor 7	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102306	Z102306	CHEMBL613606	Aorta	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50416	Z50416	CHEMBL363	Aspergillus fumigatus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50444	Z50444	CHEMBL612868	Candida parapsilosis	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50452	Z50452	CHEMBL612649	Trichophyton rubrum	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50466	Z50466	CHEMBL368	Trypanosoma cruzi	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50467	Z50467	CHEMBL612884	Trichomonas vaginalis	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50468	Z50468	CHEMBL612652	Giardia intestinalis	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50573	Z50573	CHEMBL613478	Xenopus laevis	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50592	Z50592	CHEMBL374	Oryctolagus cuniculus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50650	Z50650	CHEMBL613738	Measles virus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80096	Z80096	CHEMBL614559	CHO-TAX 5-6	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80418	Z80418	CHEMBL612557	RAW264.7 (Monocytic-macrophage leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80420	Z80420	CHEMBL614632	RBL-2H3 (Basophilic leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80712	Z80712	CHEMBL614361	T47D (Breast carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81338	Z81338	CHEMBL614309	T-cells	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1B_HUMAN	P28222	CHEMBL1898	Serotonin 1b (5-HT1b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1D_HUMAN	P28221	CHEMBL1983	Serotonin 1d (5-HT1d) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2B_HUMAN	P18089	CHEMBL1942	Alpha-2b adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB2_HUMAN	P07550	CHEMBL210	Beta-2 adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB3_HUMAN	P13945	CHEMBL246	Beta-3 adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1C_HUMAN	Q13936	CHEMBL1940	Voltage-gated L-type calcium channel alpha-1C subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1C_RAT	P22002	CHEMBL3762	Voltage-gated L-type calcium channel alpha-1C subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1D_HUMAN	Q01668	CHEMBL4138	Voltage-gated L-type calcium channel alpha-1D subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CSF1R_HUMAN	P07333	CHEMBL1844	Macrophage colony stimulating factor receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
FPR2_HUMAN	P25090	CHEMBL4227	Lipoxin A4 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GCR_HUMAN	P04150	CHEMBL2034	Glucocorticoid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM1_HUMAN	Q13255	CHEMBL3772	Metabotropic glutamate receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH1_HUMAN	P35367	CHEMBL231	Histamine H1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LKHA4_HUMAN	P09960	CHEMBL4618	Leukotriene A4 hydrolase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NK3R_HUMAN	P29371	CHEMBL4429	Neurokinin 3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMD3A_RAT	Q9R1M7	CHEMBL342	Glutamate [NMDA] receptor subunit 3A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NMD3B_RAT	Q8VHN2	CHEMBL282	Glutamate [NMDA] receptor subunit 3B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P97706_RAT	P97706	CHEMBL4957	Sodium channel protein type VI alpha subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH1_RAT	Q63921	CHEMBL4042	Cyclooxygenase-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH2_RAT	P35355	CHEMBL2977	Cyclooxygenase-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q9WTR4_RAT	Q9WTR4	CHEMBL304	Norepinephrine transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SCN5A_RAT	P15389	CHEMBL3866	Sodium channel protein type V alpha subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TAAR1_MOUSE	Q923Y8	CHEMBL4908	Trace amine-associated receptor1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TAAR1_RAT	Q923Y9	CHEMBL3833	Trace amine-associated receptor1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPA1_HUMAN	O75762	CHEMBL6007	Transient receptor potential cation channel subfamily A member 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100081	Z100081	CHEMBL613107	PBMC (Peripheral blood mononuclear cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100715	Z100715	CHEMBL613822	Nippostrongylus brasiliensis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100741	Z100741	CHEMBL614867	MC9 (Mast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101722	Z101722	CHEMBL613342	Chlorella vulgaris	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101865	Z101865	CHEMBL612790	Leishmania chagasi	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102121	Z102121	CHEMBL613162	Trichophyton mentagrophytes	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104293	Z104293	CHEMBL1907599	Integrin alpha-4/beta-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104297	Z104297	CHEMBL1907603	Glutamate NMDA receptor; GRIN1/GRIN2B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50046	Z50046	CHEMBL612334	Trichophyton quinckeanum	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50142	Z50142	CHEMBL612610	Influenza A virus (A/PR/8/34(H1N1))	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50274	Z50274	CHEMBL614955	Aspergillus flavus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50275	Z50275	CHEMBL358	Aspergillus niger	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50347	Z50347	CHEMBL361	Saccharomyces cerevisiae	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50391	Z50391	CHEMBL612824	Spinacia oleracea	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50409	Z50409	CHEMBL612842	Kluyveromyces marxianus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50422	Z50422	CHEMBL612853	Entamoeba histolytica	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50426	Z50426	CHEMBL612856	Plasmodium falciparum (isolate K1 / Thailand)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50446	Z50446	CHEMBL612870	Candida tropicalis	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
Z50609	Z50609	CHEMBL613499	Simian immunodeficiency virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50678	Z50678	CHEMBL612679	Respiratory syncytial virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50725	Z50725	CHEMBL612348	Trypanosoma brucei rhodesiense	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80021	Z80021	CHEMBL614516	A498 (Renal carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80026	Z80026	CHEMBL613860	AGS (Gastric adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80076	Z80076	CHEMBL614548	CEM-SS (T-cell leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80099	Z80099	CHEMBL614561	COLO 205 (Colon adenocarcinoma cells)	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
Z80133	Z80133	CHEMBL614294	EMT6 (Mammary carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80178	Z80178	CHEMBL614040	J774.A1 (Macrophage cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80232	Z80232	CHEMBL614128	MCF7-VP	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80295	Z80295	CHEMBL388	MT4 (Lymphocytes)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80301	Z80301	CHEMBL613516	N9	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80364	Z80364	CHEMBL614218	P388/ADR (Lymphoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80390	Z80390	CHEMBL390	PC-3 (Prostate carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80523	Z80523	CHEMBL614944	SW1353	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80548	Z80548	CHEMBL614245	THP-1 (Acute monocytic leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80682	Z80682	CHEMBL392	A549 (Lung 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
Z80773	Z80773	CHEMBL614456	CHRC/5 cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80774	Z80774	CHEMBL614457	CHRC5 cell line	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
Z80954	Z80954	CHEMBL614071	HFF (Foreskin fibroblasts)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81008	Z81008	CHEMBL614788	Human breast cancer cell lines	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81034	Z81034	CHEMBL614004	A2780 (Ovarian carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81047	Z81047	CHEMBL614685	Human T-cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81068	Z81068	CHEMBL614649	Ishikawa (Uterine carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81115	Z81115	CHEMBL398	KB (Squamous cell carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81138	Z81138	CHEMBL613872	ScN2a (Scrapie-infected neuroblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81170	Z81170	CHEMBL612518	LNCaP (Prostate 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
Z81331	Z81331	CHEMBL612262	SW-620 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase