ZINC 12

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  ZINC ID or SMILES

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Alinda Building Blocks

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

Functional 10μM Targets with Highest Number of Available Compounds (286 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	35	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	27	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	19	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50594	Z50594	CHEMBL375	Mus musculus	12	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	12	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	12	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50607	Z50607	CHEMBL378	Human immunodeficiency virus 1	10	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	10	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80682	Z80682	CHEMBL392	A549 (Lung carcinoma cells)	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50466	Z50466	CHEMBL368	Trypanosoma cruzi	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50512	Z50512	CHEMBL369	Cavia porcellus	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HCAR2_HUMAN	Q8TDS4	CHEMBL3785	Nicotinic acid receptor 1	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50468	Z50468	CHEMBL612652	Giardia intestinalis	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50587	Z50587	CHEMBL372	Homo sapiens	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50592	Z50592	CHEMBL374	Oryctolagus cuniculus	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80064	Z80064	CHEMBL382	CCRF-CEM (T-cell leukemia)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80164	Z80164	CHEMBL614580	HT-1080 (Fibrosarcoma cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81170	Z81170	CHEMBL612518	LNCaP (Prostate carcinoma)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81252	Z81252	CHEMBL400	MDA-MB-231 (Breast adenocarcinoma cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81335	Z81335	CHEMBL612263	HCT-15 (Colon adenocarcinoma cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ANDR_RAT	P15207	CHEMBL3072	Androgen Receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50422	Z50422	CHEMBL612853	Entamoeba histolytica	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80101	Z80101	CHEMBL614562	COLO 320DM (Colon adenocarcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80120	Z80120	CHEMBL614285	DLD-1 (Colon adenocarcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80166	Z80166	CHEMBL384	HT-29 (Colon adenocarcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80208	Z80208	CHEMBL614720	L5178Y (Lymphoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80268	Z80268	CHEMBL614353	MKN-28 (Gastric epithelial carcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80269	Z80269	CHEMBL614354	MKN-45 (Gastric adenocarcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80347	Z80347	CHEMBL614208	NUGC-3 (Gastric carcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80525	Z80525	CHEMBL614055	SW48	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80532	Z80532	CHEMBL614774	T-24 (Bladder carcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80686	Z80686	CHEMBL614274	AZ-521 cell line	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81048	Z81048	CHEMBL613973	TSU (Prostatic carcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81121	Z81121	CHEMBL613996	KKLS cell line	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81137	Z81137	CHEMBL612267	L929 (Fibroblast cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81330	Z81330	CHEMBL614304	SNU-	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1B_HUMAN	P28222	CHEMBL1898	Serotonin 1b (5-HT1b) receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_HUMAN	P14416	CHEMBL217	Dopamine D2 receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_RAT	P61169	CHEMBL339	Dopamine D2 receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD3_HUMAN	P35462	CHEMBL234	Dopamine D3 receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD3_RAT	P19020	CHEMBL3138	Dopamine D3 receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GYRA_ECOLI	P0AES4	CHEMBL1858	DNA gyrase subunit A	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GYRB_ECOLI	P0AES6	CHEMBL1826	DNA gyrase subunit B	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LOX5_RAT	P12527	CHEMBL312	Arachidonate 5-lipoxygenase	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A4_RAT	P31652	CHEMBL313	Serotonin transporter	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB1_HUMAN	Q9H4B7	CHEMBL1915	Tubulin beta-1 chain	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101682	Z101682	CHEMBL613915	BK polyomavirus	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101821	Z101821	CHEMBL612765	H2N2 subtype	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101822	Z101822	CHEMBL613193	H3N2 subtype	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50424	Z50424	CHEMBL612855	Cryptosporidium parvum	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50426	Z50426	CHEMBL612856	Plasmodium falciparum (isolate K1 / Thailand)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50459	Z50459	CHEMBL367	Leishmania donovani	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50652	Z50652	CHEMBL613740	Influenza A virus	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50677	Z50677	CHEMBL613758	Human immunodeficiency virus	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80136	Z80136	CHEMBL614297	FM3A (Breast carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80362	Z80362	CHEMBL389	P388 (Lymphoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80418	Z80418	CHEMBL612557	RAW264.7 (Monocytic-macrophage leukemia cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81020	Z81020	CHEMBL395	HepG2 (Hepatoblastoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81115	Z81115	CHEMBL398	KB (Squamous cell carcinoma)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA2AR_CAVPO	P46616	CHEMBL2605	Adenosine A2a receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA2AR_RAT	P30543	CHEMBL302	Adenosine A2a receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1C_RAT	P22002	CHEMBL3762	Voltage-gated L-type calcium channel alpha-1C subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1D_RAT	P27732	CHEMBL4132	Voltage-gated L-type calcium channel alpha-1D subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1E_RAT	Q07652	CHEMBL4115	Voltage-gated R-type calcium channel alpha-1E subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1S_RAT	Q02485	CHEMBL4108	Voltage-gated L-type calcium channel alpha-1S subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CXCR1_HUMAN	P25024	CHEMBL4029	Interleukin-8 receptor A	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CXCR2_HUMAN	P25025	CHEMBL2434	Interleukin-8 receptor B	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD1_BOVIN	Q95136	CHEMBL2967	Dopamine D1 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD1_RAT	P18901	CHEMBL265	Dopamine D1 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_BOVIN	P20288	CHEMBL3998	Dopamine D2 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD4_HUMAN	P21917	CHEMBL219	Dopamine D4 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD4_RAT	P30729	CHEMBL3361	Dopamine D4 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD5_RAT	P25115	CHEMBL2281	Dopamine D5 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRP1_PLAFA	P05227	CHEMBL1923	Histidine-rich protein	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE1B_RAT	Q01066	CHEMBL3665	Phosphodiesterase 1B	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH1_MOUSE	P22437	CHEMBL2649	Cyclooxygenase-1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH2_MOUSE	Q05769	CHEMBL4321	Cyclooxygenase-2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q72547_9HIV1	Q72547	CHEMBL247	Human immunodeficiency virus type 1 reverse transcriptase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SCN2A_HUMAN	Q99250	CHEMBL4187	Sodium channel protein type II alpha subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBA1A_RAT	P68370	CHEMBL4139	Tubulin alpha-1 chain	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPA1_MOUSE	Q8BLA8	CHEMBL1075310	Transient receptor potential cation channel subfamily A member 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TS1R2_HUMAN	Q8TE23	CHEMBL1613741	Taste receptor type 1 member 2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TS1R3_HUMAN	Q7RTX0	CHEMBL1613742	Taste receptor type 1 member 3	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100275	Z100275	CHEMBL613898	Hemozoin	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100498	Z100498	CHEMBL613289	Hepatocytes	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101865	Z101865	CHEMBL612790	Leishmania chagasi	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102013	Z102013	CHEMBL613257	Plasmodium malariae	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102015	Z102015	CHEMBL613013	Plasmodium vivax	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102380	Z102380	CHEMBL613680	Ileum	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50038	Z50038	CHEMBL612328	Plasmodium yoelii yoelii	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50136	Z50136	CHEMBL612608	Plasmodium falciparum (isolate FcB1 / Columbia)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50142	Z50142	CHEMBL612610	Influenza A virus (A/PR/8/34(H1N1))	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50212	Z50212	CHEMBL354	Escherichia coli	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50418	Z50418	CHEMBL612849	Trypanosoma brucei	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50457	Z50457	CHEMBL612877	Leishmania amazonensis	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50458	Z50458	CHEMBL612878	Leishmania braziliensis	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50460	Z50460	CHEMBL612879	Leishmania major	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50473	Z50473	CHEMBL612653	Plasmodium berghei	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50474	Z50474	CHEMBL612889	Plasmodium yoelii	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50636	Z50636	CHEMBL613725	Sindbis virus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50725	Z50725	CHEMBL612348	Trypanosoma brucei rhodesiense	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80052	Z80052	CHEMBL614533	C8166 (Leukemic T-cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80211	Z80211	CHEMBL614721	LoVo (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80294	Z80294	CHEMBL614184	MT2 (Lymphocytes)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80295	Z80295	CHEMBL388	MT4 (Lymphocytes)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80390	Z80390	CHEMBL390	PC-3 (Prostate carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80485	Z80485	CHEMBL614919	SK-MEL-28 (Melanoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80897	Z80897	CHEMBL614806	H9 (T-lymphoid cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81047	Z81047	CHEMBL614685	Human T-cell line	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81068	Z81068	CHEMBL614649	Ishikawa (Uterine carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81072	Z81072	CHEMBL397	Jurkat (Acute leukemic T-cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81138	Z81138	CHEMBL613872	ScN2a (Scrapie-infected neuroblastoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1D_HUMAN	P28221	CHEMBL1983	Serotonin 1d (5-HT1d) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2A_HUMAN	P28223	CHEMBL224	Serotonin 2a (5-HT2a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_HUMAN	P28335	CHEMBL225	Serotonin 2c (5-HT2c) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3A_MOUSE	P23979	CHEMBL4972	Serotonin 3a (5-HT3a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA1R_RAT	P25099	CHEMBL318	Adenosine A1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA2BR_HUMAN	P29275	CHEMBL255	Adenosine A2b receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA2BR_RAT	P29276	CHEMBL2592	Adenosine A2b receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ABL1_HUMAN	P00519	CHEMBL1862	Tyrosine-protein kinase ABL	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA7_HUMAN	P36544	CHEMBL2492	Neuronal acetylcholine receptor protein alpha-7 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADCY2_RAT	P26769	CHEMBL2958	Adenylate cyclase type II	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADCY3_RAT	P21932	CHEMBL4864	Adenylate cyclase type III	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADCY4_RAT	P26770	CHEMBL2879	Adenylate cyclase type IV	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADCY5_RAT	Q04400	CHEMBL2880	Adenylate cyclase type V	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADCY6_RAT	Q03343	CHEMBL2975	Adenylate cyclase type VI	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADCY8_RAT	P40146	CHEMBL3082	Adenylate cyclase type VIII	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AGTR1_BOVIN	P25104	CHEMBL3374	Angiotensin II type 1a (AT-1a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AGTR1_HUMAN	P30556	CHEMBL227	Angiotensin II type 1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AGTR1_RABIT	P34976	CHEMBL3948	Angiotensin II type 1a (AT-1a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AGTR2_HUMAN	P50052	CHEMBL4607	Angiotensin II type 2 (AT-2) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AGTR2_RAT	P35351	CHEMBL257	Angiotensin II type 2 (AT-2) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AGTRA_RAT	P25095	CHEMBL329	Angiotensin II type 1a (AT-1a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AGTRB_RAT	P29089	CHEMBL263	Angiotensin II type 1b (AT-1b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
BCR_HUMAN	P11274	CHEMBL5146	Breakpoint cluster region protein	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH1_HUMAN	P00915	CHEMBL261	Carbonic anhydrase I	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH2_HUMAN	P00918	CHEMBL205	Carbonic anhydrase II	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH4_BOVIN	Q95323	CHEMBL281	Carbonic anhydrase IV	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH9_HUMAN	Q16790	CHEMBL3594	Carbonic anhydrase IX	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CXCR4_HUMAN	P61073	CHEMBL2107	C-X-C chemokine receptor type 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
D4A3N4_RAT	D4A3N4	CHEMBL2679	Brain adenylate cyclase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD1_HUMAN	P21728	CHEMBL2056	Dopamine D1 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
GPR44_HUMAN	Q9Y5Y4	CHEMBL5071	G protein-coupled receptor 44	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HCAR2_MOUSE	Q9EP66	CHEMBL4420	HM74 nicotinic acid GPCR	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HMDH_HUMAN	P04035	CHEMBL402	HMG-CoA reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH2_HUMAN	P25021	CHEMBL1941	Histamine H2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ICAM1_HUMAN	P05362	CHEMBL3070	Intercellular adhesion molecule-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ITAL_HUMAN	P20701	CHEMBL1803	Leukocyte adhesion glycoprotein LFA-1 alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KCNH2_HUMAN	Q12809	CHEMBL240	HERG	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LOX5_HUMAN	P09917	CHEMBL215	Arachidonate 5-lipoxygenase	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
PARC_ECOLI	P0AFI2	CHEMBL1895	Topoisomerase IV subunit A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PARC_STAAU	P0C1U9	CHEMBL4088	Topoisomerase IV subunit A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE1C_RAT	Q63421	CHEMBL2651	Phosphodiesterase 1C	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE3A_HUMAN	Q14432	CHEMBL241	Phosphodiesterase 3A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE3B_HUMAN	Q13370	CHEMBL290	Phosphodiesterase 3B	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
PPARA_HUMAN	Q07869	CHEMBL239	Peroxisome proliferator-activated receptor alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PPARG_HUMAN	P37231	CHEMBL235	Peroxisome proliferator-activated receptor gamma	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PPARG_MOUSE	P37238	CHEMBL2459	Peroxisome proliferator-activated receptor gamma	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
Q8CFM9_RAT	Q8CFM9	CHEMBL3940	Adenylate cyclase type VII	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q9EPR9_RAT	Q9EPR9	CHEMBL2740	Phosphodiesterase 1A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q9WTR4_RAT	Q9WTR4	CHEMBL304	Norepinephrine transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A3_RAT	P23977	CHEMBL338	Dopamine transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SCN1A_HUMAN	P35498	CHEMBL1845	Sodium channel protein type I alpha subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SCN2A_RAT	P04775	CHEMBL3399	Sodium channel protein type II alpha subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SCN3A_HUMAN	Q9NY46	CHEMBL5163	Sodium channel protein type III alpha subunit	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_HUMAN	Q96RJ0	CHEMBL5857	Trace amine-associated receptor 1	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
TBB8_HUMAN	Q3ZCM7	CHEMBL4024	Tubulin beta-8 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPM8_HUMAN	Q7Z2W7	CHEMBL1075319	Transient receptor potential cation channel subfamily M member 8	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPV1_RAT	O35433	CHEMBL5102	Vanilloid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100081	Z100081	CHEMBL613107	PBMC (Peripheral blood mononuclear cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100695	Z100695	CHEMBL612587	WRL68 (Embryonic hepatoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100741	Z100741	CHEMBL614867	MC9 (Mast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101666	Z101666	CHEMBL613904	Bacillus anthracis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101973	Z101973	CHEMBL613240	Paracentrotus lividus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102020	Z102020	CHEMBL613016	Porcine endogenous retrovirus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102121	Z102121	CHEMBL613162	Trichophyton mentagrophytes	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102306	Z102306	CHEMBL613606	Aorta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102333	Z102333	CHEMBL613633	Ileum	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103205	Z103205	CHEMBL1075390	A431	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104282	Z104282	CHEMBL1907588	Acetylcholine receptor; alpha1/beta1/delta/gamma	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104283	Z104283	CHEMBL1907589	Neuronal acetylcholine receptor; alpha4/beta2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104287	Z104287	CHEMBL1907593	Neuronal acetylcholine receptor; alpha3/beta4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104290	Z104290	CHEMBL1907596	Neuronal acetylcholine receptor; alpha4/beta2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104297	Z104297	CHEMBL1907603	Glutamate NMDA receptor; GRIN1/GRIN2B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104298	Z104298	CHEMBL1907604	Glutamate NMDA receptor; GRIN1/GRIN2A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104304	Z104304	CHEMBL1907610	Adrenergic receptor alpha-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50046	Z50046	CHEMBL612334	Trichophyton quinckeanum	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50117	Z50117	CHEMBL348	Pseudomonas aeruginosa	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50185	Z50185	CHEMBL352	Staphylococcus aureus	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
Z50339	Z50339	CHEMBL613064	Pneumocystis carinii	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50347	Z50347	CHEMBL361	Saccharomyces cerevisiae	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50362	Z50362	CHEMBL613075	Lactobacillus casei	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50378	Z50378	CHEMBL612640	Mycobacterium intracellulare	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50380	Z50380	CHEMBL613088	Mycobacterium smegmatis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50409	Z50409	CHEMBL612842	Kluyveromyces marxianus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50416	Z50416	CHEMBL363	Aspergillus fumigatus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50417	Z50417	CHEMBL612848	Leishmania infantum	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50420	Z50420	CHEMBL612851	Trypanosoma brucei brucei	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50436	Z50436	CHEMBL365	Filobasidiella neoformans	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50442	Z50442	CHEMBL366	Candida albicans	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50444	Z50444	CHEMBL612868	Candida parapsilosis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50452	Z50452	CHEMBL612649	Trichophyton rubrum	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50472	Z50472	CHEMBL612888	Toxoplasma gondii	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50588	Z50588	CHEMBL373	Canis familiaris	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50590	Z50590	CHEMBL613488	Sus scrofa	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
Z50609	Z50609	CHEMBL613499	Simian immunodeficiency virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50617	Z50617	CHEMBL613554	Human coxsackievirus B3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50643	Z50643	CHEMBL379	Hepatitis C virus	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
Z50664	Z50664	CHEMBL613748	Rauscher murine leukemia virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50737	Z50737	CHEMBL612359	Human immunodeficiency virus 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80002	Z80002	CHEMBL614075	1A9 (Ovarian adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80026	Z80026	CHEMBL613860	AGS (Gastric adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80030	Z80030	CHEMBL614520	ANN-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80037	Z80037	CHEMBL614065	Balb/MK	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80054	Z80054	CHEMBL614058	Caco-2 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80063	Z80063	CHEMBL614027	CCRF S-180	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80071	Z80071	CHEMBL614028	CEM-0 (T-cell leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80073	Z80073	CHEMBL614545	CEM-c113	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80076	Z80076	CHEMBL614548	CEM-SS (T-cell leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80088	Z80088	CHEMBL613853	CHO (Ovarian cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80110	Z80110	CHEMBL613507	CV-1 (Kidney cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80121	Z80121	CHEMBL614286	DMS-79 (Small cell lung carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80125	Z80125	CHEMBL613508	DU-145 (Prostate carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80244	Z80244	CHEMBL614335	MDA-MB-468 (Breast adenocarcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80249	Z80249	CHEMBL614068	MDCK (Kidney cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80284	Z80284	CHEMBL614176	MOLT-3 (T-lymphoblastic leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80285	Z80285	CHEMBL614177	MOLT-4 (Acute T-lymphoblastic leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80354	Z80354	CHEMBL614213	OVCAR-3 (Ovarian adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80384	Z80384	CHEMBL614233	PBL (Peripheral blood lymphocytes)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80387	Z80387	CHEMBL612556	PC-12 (Adrenal phaeochromacytoma 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
Z80470	Z80470	CHEMBL614909	SGC-7901 (Gastric carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80472	Z80472	CHEMBL612542	SiHa (Cervical squamous cell carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80475	Z80475	CHEMBL613834	SK-BR-3 (Breast adenocarcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80490	Z80490	CHEMBL614923	SK-MES-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80493	Z80493	CHEMBL614925	SK-OV-3 (Ovarian carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80516	Z80516	CHEMBL614940	SUP-T1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80526	Z80526	CHEMBL612544	SW480 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80552	Z80552	CHEMBL615015	TLX-5	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
Z80653	Z80653	CHEMBL613105	9L (Glioma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80683	Z80683	CHEMBL614272	ATH8 cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80688	Z80688	CHEMBL614797	B(EBV+) cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80697	Z80697	CHEMBL614279	Bel-7402 (Hepatoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80721	Z80721	CHEMBL614366	BxT cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80737	Z80737	CHEMBL614372	C3H/3T3 (Embryonic fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80760	Z80760	CHEMBL614779	CFU-GM cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80819	Z80819	CHEMBL614484	J774.2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80847	Z80847	CHEMBL612250	FaDu (Pharyngeal carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80866	Z80866	CHEMBL612707	GLC4 cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80870	Z80870	CHEMBL614505	GM892A cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80902	Z80902	CHEMBL614150	HASMC (Aortic smooth muscle cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80928	Z80928	CHEMBL394	HCT-116 (Colon carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80936	Z80936	CHEMBL614818	HEK293 (Embryonic kidney fibroblasts)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80945	Z80945	CHEMBL614735	HEp-2 (Laryngeal carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80952	Z80952	CHEMBL614662	HES	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
Z81135	Z81135	CHEMBL614793	L6 (Skeletal muscle myoblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81223	Z81223	CHEMBL614115	M cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81233	Z81233	CHEMBL614117	M21 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81244	Z81244	CHEMBL614123	J774 (Macrophage cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase