ZINC 12

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IBScreen NP

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

Functional 10μM Targets with Highest Number of Available Compounds (259 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	41	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	19	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80682	Z80682	CHEMBL392	A549 (Lung carcinoma cells)	16	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	14	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80928	Z80928	CHEMBL394	HCT-116 (Colon carcinoma cells)	13	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50607	Z50607	CHEMBL378	Human immunodeficiency virus 1	11	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	11	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80712	Z80712	CHEMBL614361	T47D (Breast carcinoma cells)	11	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50426	Z50426	CHEMBL612856	Plasmodium falciparum (isolate K1 / Thailand)	10	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50594	Z50594	CHEMBL375	Mus musculus	10	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80418	Z80418	CHEMBL612557	RAW264.7 (Monocytic-macrophage leukemia cells)	10	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GPBAR_HUMAN	Q8TDU6	CHEMBL5409	G-protein coupled bile acid receptor 1	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50512	Z50512	CHEMBL369	Cavia porcellus	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR1_HUMAN	P03372	CHEMBL206	Estrogen receptor alpha	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR2_HUMAN	Q92731	CHEMBL242	Estrogen receptor beta	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50592	Z50592	CHEMBL374	Oryctolagus cuniculus	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81252	Z81252	CHEMBL400	MDA-MB-231 (Breast adenocarcinoma cells)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ANDR_HUMAN	P10275	CHEMBL1871	Androgen Receptor	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NR1H4_HUMAN	Q96RI1	CHEMBL2047	Bile acid receptor FXR	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50677	Z50677	CHEMBL613758	Human immunodeficiency virus	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80166	Z80166	CHEMBL384	HT-29 (Colon adenocarcinoma cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81034	Z81034	CHEMBL614004	A2780 (Ovarian carcinoma cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81072	Z81072	CHEMBL397	Jurkat (Acute leukemic T-cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB1_HUMAN	P08588	CHEMBL213	Beta-1 adrenergic receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB2_HUMAN	P07550	CHEMBL210	Beta-2 adrenergic receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB3_HUMAN	P13945	CHEMBL246	Beta-3 adrenergic receptor	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100766	Z100766	CHEMBL613712	Radical scavenging activity	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101849	Z101849	CHEMBL613205	Human papillomavirus type 16	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50442	Z50442	CHEMBL366	Candida albicans	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80052	Z80052	CHEMBL614533	C8166 (Leukemic T-cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80064	Z80064	CHEMBL382	CCRF-CEM (T-cell leukemia)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80071	Z80071	CHEMBL614028	CEM-0 (T-cell leukemia)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80073	Z80073	CHEMBL614545	CEM-c113	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80076	Z80076	CHEMBL614548	CEM-SS (T-cell leukemia)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80077	Z80077	CHEMBL614044	CEM-TK(-)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80295	Z80295	CHEMBL388	MT4 (Lymphocytes)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81020	Z81020	CHEMBL395	HepG2 (Hepatoblastoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81057	Z81057	CHEMBL613979	HUVEC (Umbilical vein endothelial cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA2BR_HUMAN	P29275	CHEMBL255	Adenosine A2b receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_HUMAN	P22303	CHEMBL220	Acetylcholinesterase	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1A_HUMAN	P35348	CHEMBL229	Alpha-1a adrenergic receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB1_RAT	P18090	CHEMBL3252	Beta-1 adrenergic receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB2_CANFA	P54833	CHEMBL2289	Beta-2 adrenergic receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB2_RAT	P10608	CHEMBL3754	Beta-2 adrenergic receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB3_RAT	P26255	CHEMBL4031	Beta-3 adrenergic receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_HUMAN	P14416	CHEMBL217	Dopamine D2 receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PRGR_HUMAN	P06401	CHEMBL208	Progesterone receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104302	Z104302	CHEMBL1907608	Glutamate NMDA 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
Z50652	Z50652	CHEMBL613740	Influenza A virus	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80088	Z80088	CHEMBL613853	CHO (Ovarian cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80125	Z80125	CHEMBL613508	DU-145 (Prostate carcinoma)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81335	Z81335	CHEMBL612263	HCT-15 (Colon adenocarcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_HUMAN	P28335	CHEMBL225	Serotonin 2c (5-HT2c) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1B_HUMAN	P35368	CHEMBL232	Alpha-1b adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1D_HUMAN	P25100	CHEMBL223	Alpha-1d adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2B_HUMAN	P18089	CHEMBL1942	Alpha-2b adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB1_MOUSE	P34971	CHEMBL3440	Beta-1 adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB2_MESAU	P04274	CHEMBL5943	Beta-2 adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB2_MOUSE	P18762	CHEMBL3707	Beta-2 adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADRB3_MOUSE	P25962	CHEMBL4030	Beta-3 adrenergic receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ANDR_RAT	P15207	CHEMBL3072	Androgen Receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DHI1_MOUSE	P50172	CHEMBL3910	11-beta-hydroxysteroid dehydrogenase 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD1_HUMAN	P21728	CHEMBL2056	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_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
DRD4_RAT	P30729	CHEMBL3361	Dopamine D4 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA1_HUMAN	P14867	CHEMBL1962	GABA receptor alpha-1 subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRG2_HUMAN	P18507	CHEMBL1788	GABA receptor gamma-2 subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM4_RAT	P31423	CHEMBL2787	Metabotropic glutamate receptor 4	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MCR_HUMAN	P08235	CHEMBL1994	Mineralocorticoid receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100494	Z100494	CHEMBL612655	C2C12 (Myoblast cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104283	Z104283	CHEMBL1907589	Neuronal acetylcholine receptor; alpha4/beta2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104290	Z104290	CHEMBL1907596	Neuronal acetylcholine receptor; alpha4/beta2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50136	Z50136	CHEMBL612608	Plasmodium falciparum (isolate FcB1 / Columbia)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50185	Z50185	CHEMBL352	Staphylococcus aureus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50212	Z50212	CHEMBL354	Escherichia coli	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50380	Z50380	CHEMBL613088	Mycobacterium smegmatis	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50420	Z50420	CHEMBL612851	Trypanosoma brucei brucei	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50530	Z50530	CHEMBL371	Human herpesvirus 5	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50573	Z50573	CHEMBL613478	Xenopus laevis	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50643	Z50643	CHEMBL379	Hepatitis C virus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80006	Z80006	CHEMBL614510	3T3-L1 (Fibroblast cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80026	Z80026	CHEMBL613860	AGS (Gastric adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80164	Z80164	CHEMBL614580	HT-1080 (Fibrosarcoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80211	Z80211	CHEMBL614721	LoVo (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80362	Z80362	CHEMBL389	P388 (Lymphoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80390	Z80390	CHEMBL390	PC-3 (Prostate carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80470	Z80470	CHEMBL614909	SGC-7901 (Gastric carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80482	Z80482	CHEMBL614917	SK-MEL-2 (Melanoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80485	Z80485	CHEMBL614919	SK-MEL-28 (Melanoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80493	Z80493	CHEMBL614925	SK-OV-3 (Ovarian carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80548	Z80548	CHEMBL614245	THP-1 (Acute monocytic leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80600	Z80600	CHEMBL613533	XF498 (Glioma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80897	Z80897	CHEMBL614806	H9 (T-lymphoid cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80901	Z80901	CHEMBL614392	HaCaT (Keratinocytes)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81115	Z81115	CHEMBL398	KB (Squamous cell carcinoma)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81338	Z81338	CHEMBL614309	T-cells	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1A_HUMAN	P08908	CHEMBL214	Serotonin 1a (5-HT1a) receptor	1	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
5HT1F_HUMAN	P30939	CHEMBL1805	Serotonin 1f (5-HT1f) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2A_HUMAN	P28223	CHEMBL224	Serotonin 2a (5-HT2a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2A_RAT	P14842	CHEMBL322	Serotonin 2a (5-HT2a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2B_HUMAN	P41595	CHEMBL1833	Serotonin 2b (5-HT2b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2B_RAT	P30994	CHEMBL323	Serotonin 2b (5-HT2b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT2C_RAT	P08909	CHEMBL324	Serotonin 2c (5-HT2c) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3A_HUMAN	P46098	CHEMBL1899	Serotonin 3a (5-HT3a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3A_MOUSE	P23979	CHEMBL4972	Serotonin 3a (5-HT3a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT4R_HUMAN	Q13639	CHEMBL1875	Serotonin 4 (5-HT4) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT4R_RAT	Q62758	CHEMBL4317	Serotonin 4 (5-HT4) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT7R_HUMAN	P34969	CHEMBL3155	Serotonin 7 (5-HT7) 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
AA3R_HUMAN	P33765	CHEMBL256	Adenosine A3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA3_HUMAN	P32297	CHEMBL3068	Neuronal acetylcholine receptor protein alpha-3 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA4_HUMAN	P43681	CHEMBL1882	Neuronal acetylcholine receptor protein alpha-4 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA7_RAT	Q05941	CHEMBL4980	Neuronal acetylcholine receptor protein alpha-7 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHD_TORCA	P02718	CHEMBL3916	Acetylcholine receptor protein delta chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM1_HUMAN	P11229	CHEMBL216	Muscarinic acetylcholine receptor M1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1D_RAT	P23944	CHEMBL326	Alpha-1d adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2A_HUMAN	P08913	CHEMBL1867	Alpha-2a adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2A_RAT	P22909	CHEMBL327	Alpha-2a adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2B_RAT	P19328	CHEMBL266	Alpha-2b adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2C_HUMAN	P18825	CHEMBL1916	Alpha-2c adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2C_RAT	P22086	CHEMBL314	Alpha-2c adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AMPC_ENTCL	P05364	CHEMBL2725	Beta-lactamase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ANDR_MOUSE	P19091	CHEMBL3056	Androgen Receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ARP19_RAT	Q712U5	CHEMBL2170	cyclic AMP phosphoprotein	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
BLAT_ECOLX	P62593	CHEMBL2065	Beta-lactamase TEM	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
BLO1_ECOLX	P13661	CHEMBL4951	Beta-lactamase OXA-1	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
CAC1D_RAT	P27732	CHEMBL4132	Voltage-gated L-type calcium channel alpha-1D subunit	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
DRD1_BOVIN	Q95136	CHEMBL2967	Dopamine D1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_BOVIN	P20288	CHEMBL3998	Dopamine D2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD3_HUMAN	P35462	CHEMBL234	Dopamine D3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD3_RAT	P19020	CHEMBL3138	Dopamine D3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD5_RAT	P25115	CHEMBL2281	Dopamine D5 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GABR1_HUMAN	Q9UBS5	CHEMBL2064	GABA-B receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA2_HUMAN	P47869	CHEMBL4956	GABA receptor alpha-2 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA3_HUMAN	P34903	CHEMBL3026	GABA receptor alpha-3 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA4_HUMAN	P48169	CHEMBL2472	GABA receptor alpha-4 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA5_HUMAN	P31644	CHEMBL5112	GABA receptor alpha-5 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRA6_HUMAN	Q16445	CHEMBL2579	GABA receptor alpha-6 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRB2_HUMAN	P47870	CHEMBL1920	GABA receptor beta-2 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRB3_HUMAN	P28472	CHEMBL1847	GABA receptor beta-3 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRR1_HUMAN	P24046	CHEMBL3561	GABA receptor rho-1 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRR2_HUMAN	P28476	CHEMBL2375	GABA receptor rho-2 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GBRR3_HUMAN	A8MPY1	CHEMBL2394	GABA receptor rho-3 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GCR_HUMAN	P04150	CHEMBL2034	Glucocorticoid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GPBAR_MOUSE	Q80SS6	CHEMBL1255150	G-protein coupled bile acid receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM1_RAT	P23385	CHEMBL4477	Metabotropic glutamate receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LOX5_HUMAN	P09917	CHEMBL215	Arachidonate 5-lipoxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LOX5_RAT	P12527	CHEMBL312	Arachidonate 5-lipoxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MDFA_ECOLI	P0AEY8	CHEMBL4785	Multidrug translocase mdfA	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRK_HUMAN	P41145	CHEMBL237	Kappa opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PDE1B_RAT	Q01066	CHEMBL3665	Phosphodiesterase 1B	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
PTAFR_HUMAN	P25105	CHEMBL250	Platelet activating factor receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S5A1_HUMAN	P18405	CHEMBL1787	Steroid 5-alpha-reductase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S5A2_HUMAN	P31213	CHEMBL1856	Steroid 5-alpha-reductase 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S5A2_RAT	P31214	CHEMBL5099	Steroid 5-alpha-reductase 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S6A11_RAT	P31647	CHEMBL3598	GABA transporter 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S6A12_RAT	P48056	CHEMBL5248	Betaine transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S6A13_RAT	P31646	CHEMBL4889	GABA transporter 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A1_RAT	P23978	CHEMBL4054	GABA transporter 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A3_RAT	P23977	CHEMBL338	Dopamine transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SHBG_HUMAN	P04278	CHEMBL3305	Testis-specific androgen-binding protein	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SHBG_RAT	P08689	CHEMBL4932	Testis-specific androgen-binding protein	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TAAR1_HUMAN	Q96RJ0	CHEMBL5857	Trace amine-associated receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBA1A_RAT	P68370	CHEMBL4139	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
TNR1A_HUMAN	P19438	CHEMBL3378	Tumor necrosis factor receptor R1	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
TRPV1_RAT	O35433	CHEMBL5102	Vanilloid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPV2_RAT	Q9WUD2	CHEMBL2863	Transient receptor potential cation channel subfamily V member 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPV4_RAT	Q9ERZ8	CHEMBL2775	Transient receptor potential cation channel subfamily V member 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100081	Z100081	CHEMBL613107	PBMC (Peripheral blood mononuclear cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100499	Z100499	CHEMBL612575	SARS coronavirus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100516	Z100516	CHEMBL612596	Hs 683 (Glioma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100732	Z100732	CHEMBL613824	CNE (Nasopharyngeal carcinoma 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
Z101767	Z101767	CHEMBL613966	Dengue virus 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101841	Z101841	CHEMBL612776	Human adenovirus 37	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102013	Z102013	CHEMBL613257	Plasmodium malariae	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102015	Z102015	CHEMBL613013	Plasmodium vivax	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102020	Z102020	CHEMBL613016	Porcine endogenous retrovirus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102116	Z102116	CHEMBL613159	Toxoplasma gondii RH	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102178	Z102178	CHEMBL613694	Liver microsomes	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102235	Z102235	CHEMBL613700	Plasma	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102306	Z102306	CHEMBL613606	Aorta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102317	Z102317	CHEMBL613617	Brain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102333	Z102333	CHEMBL613633	Ileum	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102342	Z102342	CHEMBL613642	Liver	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102380	Z102380	CHEMBL613680	Ileum	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
Z103208	Z103208	CHEMBL1075393	AU565	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103216	Z103216	CHEMBL1075401	C32	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103461	Z103461	CHEMBL1169592	Dermabacter hominis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104282	Z104282	CHEMBL1907588	Acetylcholine receptor; alpha1/beta1/delta/gamma	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104287	Z104287	CHEMBL1907593	Neuronal acetylcholine receptor; alpha3/beta4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104288	Z104288	CHEMBL1907594	Neuronal acetylcholine receptor; alpha3/beta4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104304	Z104304	CHEMBL1907610	Adrenergic receptor alpha-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50028	Z50028	CHEMBL347	Streptococcus pneumoniae	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50038	Z50038	CHEMBL612328	Plasmodium yoelii yoelii	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50417	Z50417	CHEMBL612848	Leishmania infantum	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50422	Z50422	CHEMBL612853	Entamoeba histolytica	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50424	Z50424	CHEMBL612855	Cryptosporidium parvum	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50460	Z50460	CHEMBL612879	Leishmania major	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
Z50591	Z50591	CHEMBL613489	Bos taurus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50599	Z50599	CHEMBL612672	Cowpox virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50602	Z50602	CHEMBL377	Human herpesvirus 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50612	Z50612	CHEMBL613501	Moloney murine sarcoma virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50641	Z50641	CHEMBL613730	West Nile virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50658	Z50658	CHEMBL380	Human immunodeficiency virus 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50678	Z50678	CHEMBL612679	Respiratory syncytial virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50712	Z50712	CHEMBL612237	Human adenovirus type 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50740	Z50740	CHEMBL612361	Cricetinae gen. sp.	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80002	Z80002	CHEMBL614075	1A9 (Ovarian adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80005	Z80005	CHEMBL614077	3T3 (Fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80040	Z80040	CHEMBL614527	BHK-21 (Kidney cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80054	Z80054	CHEMBL614058	Caco-2 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80105	Z80105	CHEMBL613854	COR-L23 (Lung carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80136	Z80136	CHEMBL614297	FM3A (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80178	Z80178	CHEMBL614040	J774.A1 (Macrophage cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80208	Z80208	CHEMBL614720	L5178Y (Lymphoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80214	Z80214	CHEMBL614317	M14 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80244	Z80244	CHEMBL614335	MDA-MB-468 (Breast adenocarcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80294	Z80294	CHEMBL614184	MT2 (Lymphocytes)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80334	Z80334	CHEMBL613828	NG108-15 (Neuroblastoma-glioma hybrid cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80401	Z80401	CHEMBL614241	PSN1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80479	Z80479	CHEMBL614914	SK-MEL (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80539	Z80539	CHEMBL614775	T98G (Glioblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80672	Z80672	CHEMBL614266	ADR5000 cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80800	Z80800	CHEMBL614725	MIA PaCa-2 (Pancreatic 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
Z81000	Z81000	CHEMBL614316	HT-22 (Hippocampal cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81054	Z81054	CHEMBL613977	SF-268 (Glioblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81074	Z81074	CHEMBL614687	K177cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81138	Z81138	CHEMBL613872	ScN2a (Scrapie-infected neuroblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase