ZINC 12

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NCI Diversity 3

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

Binding 1μM Targets with Highest Number of Available Compounds (134 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
TOP1_HUMAN	P11387	CHEMBL1781	DNA topoisomerase I	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KCNH2_HUMAN	Q12809	CHEMBL240	HERG	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104283	Z104283	CHEMBL1907589	Neuronal acetylcholine receptor; alpha4/beta2	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1A_HUMAN	P08908	CHEMBL214	Serotonin 1a (5-HT1a) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT5A_HUMAN	P47898	CHEMBL3426	Serotonin 5a (5-HT5a) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT6R_HUMAN	P50406	CHEMBL3371	Serotonin 6 (5-HT6) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT7R_HUMAN	P34969	CHEMBL3155	Serotonin 7 (5-HT7) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT7R_RAT	P32305	CHEMBL3223	Serotonin 7 (5-HT7) receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA7_HUMAN	P36544	CHEMBL2492	Neuronal acetylcholine receptor protein alpha-7 subunit	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM1_HUMAN	P11229	CHEMBL216	Muscarinic acetylcholine receptor M1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM1_RAT	P08482	CHEMBL276	Muscarinic acetylcholine receptor M1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM2_RAT	P10980	CHEMBL309	Muscarinic acetylcholine receptor M2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH2_HUMAN	P00918	CHEMBL205	Carbonic anhydrase II	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MTSI_SPISQ	P15840	CHEMBL4373	CpG DNA methylase	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q72874_9HIV1	Q72874	CHEMBL243	Human immunodeficiency virus type 1 protease	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	2	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
AA3R_HUMAN	P33765	CHEMBL256	Adenosine A3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_ELEEL	O42275	CHEMBL4078	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_HUMAN	P22303	CHEMBL220	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_MOUSE	P21836	CHEMBL3198	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_RAT	P37136	CHEMBL3199	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_TORCA	P04058	CHEMBL4780	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA2_RAT	P12389	CHEMBL2584	Neuronal acetylcholine receptor protein alpha-2 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA3_RAT	P04757	CHEMBL3818	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
ACHA4_RAT	P09483	CHEMBL307	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
ACHA_TORCA	P02710	CHEMBL3097	Acetylcholine receptor protein alpha chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHB2_RAT	P12390	CHEMBL3001	Neuronal acetylcholine receptor protein beta-2 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHB4_HUMAN	P30926	CHEMBL3002	Neuronal acetylcholine receptor protein beta-4 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHB4_RAT	P12392	CHEMBL2658	Neuronal acetylcholine receptor protein beta-4 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHB_TORCA	P02712	CHEMBL3803	Acetylcholine receptor protein beta chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHD_HUMAN	Q07001	CHEMBL3011	Acetylcholine receptor protein delta chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHD_TORCA	P02718	CHEMBL3916	Acetylcholine receptor protein delta chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHG_TORCA	P02714	CHEMBL4019	Acetylcholine receptor protein gamma chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM1_MOUSE	P12657	CHEMBL3733	Muscarinic acetylcholine receptor M1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM2_HUMAN	P08172	CHEMBL211	Muscarinic acetylcholine receptor M2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM2_MOUSE	Q9ERZ4	CHEMBL3197	Muscarinic acetylcholine receptor M2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM3_HUMAN	P20309	CHEMBL245	Muscarinic acetylcholine receptor M3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM4_HUMAN	P08173	CHEMBL1821	Muscarinic acetylcholine receptor M4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM4_RAT	P08485	CHEMBL317	Muscarinic acetylcholine receptor M4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM5_HUMAN	P08912	CHEMBL2035	Muscarinic acetylcholine receptor M5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1A_RAT	P43140	CHEMBL319	Alpha-1a adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA1B_RAT	P15823	CHEMBL315	Alpha-1b adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AK1C1_HUMAN	Q04828	CHEMBL5905	Aldo-keto reductase family 1 member C1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AOFA_HUMAN	P21397	CHEMBL1951	Monoamine oxidase A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AOFB_HUMAN	P27338	CHEMBL2039	Monoamine oxidase B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CCR5_MOUSE	P51682	CHEMBL3676	C-C chemokine receptor type 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CP19A_HUMAN	P11511	CHEMBL1978	Cytochrome P450 19A1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CYNT_HELPY	O24855	CHEMBL4211	Carbonic anhydrase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD1_RAT	P18901	CHEMBL265	Dopamine D1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_RAT	P61169	CHEMBL339	Dopamine D2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRTS_TOXGO	Q07422	CHEMBL2425	Dihydrofolate reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DUOX2_HUMAN	Q9NRD8	CHEMBL3293	Thyroid oxidase 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DYR_CANAX	P22906	CHEMBL2329	Dihydrofolate reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DYR_HUMAN	P00374	CHEMBL202	Dihydrofolate reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DYR_RAT	Q920D2	CHEMBL2363	Dihydrofolate reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EGFR_HUMAN	P00533	CHEMBL203	Epidermal growth factor receptor erbB1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ERR1_HUMAN	P11474	CHEMBL3429	Estrogen-related receptor alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ERR2_HUMAN	O95718	CHEMBL3751	Estrogen-related receptor beta	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
GYRB_ECOLI	P0AES6	CHEMBL1826	DNA gyrase subunit B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH1_HUMAN	P35367	CHEMBL231	Histamine H1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KIT_HUMAN	P10721	CHEMBL1936	Stem cell growth factor receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LOX5_RAT	P12527	CHEMBL312	Arachidonate 5-lipoxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MPIP2_HUMAN	P30305	CHEMBL4804	Dual specificity phosphatase Cdc25B	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MRP1_HUMAN	P33527	CHEMBL3004	Multidrug resistance-associated protein 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MTOR_HUMAN	P42345	CHEMBL2842	FK506 binding protein 12	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MYLK_CHICK	P11799	CHEMBL3062	Myosin light chain kinase, smooth muscle	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MYLK_HUMAN	Q15746	CHEMBL2428	Myosin light chain kinase, smooth muscle	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUA4_HUMAN	O00483	CHEMBL2317	NADH-ubiquinone oxidoreductase MLRQ subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUA6_HUMAN	P56556	CHEMBL2103	NADH-ubiquinone oxidoreductase B14 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUA8_HUMAN	P51970	CHEMBL3294	NADH-ubiquinone oxidoreductase 19 kDa subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUAA_HUMAN	O95299	CHEMBL2089	NADH-ubiquinone oxidoreductase 42 kDa subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUAB_HUMAN	Q86Y39	CHEMBL2348	NADH-ubiquinone oxidoreductase subunit B14.7	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUB5_HUMAN	O43674	CHEMBL4337	NADH-ubiquinone oxidoreductase SGDH subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUB6_HUMAN	O95139	CHEMBL2192	NADH-ubiquinone oxidoreductase B17 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUB7_HUMAN	P17568	CHEMBL2357	NADH-ubiquinone oxidoreductase B18 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUS2_HUMAN	O75306	CHEMBL3039	NADH-ubiquinone oxidoreductase 49 kDa subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NDUS8_HUMAN	O00217	CHEMBL2090	NADH-ubiquinone oxidoreductase 23 kDa subunit,	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NU1M_HUMAN	P03886	CHEMBL2111	NADH-ubiquinone oxidoreductase chain 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NU2M_HUMAN	P03891	CHEMBL2515	NADH-ubiquinone oxidoreductase chain 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NU3M_HUMAN	P03897	CHEMBL4643	NADH-ubiquinone oxidoreductase chain 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NU4M_HUMAN	P03905	CHEMBL4499	NADH-ubiquinone oxidoreductase chain 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NU5M_HUMAN	P03915	CHEMBL3098	NADH-ubiquinone oxidoreductase chain 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NU6M_HUMAN	P03923	CHEMBL2087	NADH-ubiquinone oxidoreductase chain 6	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRD_HUMAN	P41143	CHEMBL236	Delta opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRD_RAT	P33533	CHEMBL269	Delta opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRK_CAVPO	P41144	CHEMBL3952	Kappa opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRK_HUMAN	P41145	CHEMBL237	Kappa opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRK_RAT	P34975	CHEMBL3614	Kappa opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRM_BOVIN	P79350	CHEMBL3041	Mu opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRM_CAVPO	P97266	CHEMBL4354	Mu opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRM_HUMAN	P35372	CHEMBL233	Mu opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OPRM_RAT	P33535	CHEMBL270	Mu opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P85A_HUMAN	P27986	CHEMBL2506	PI3-kinase p85-alpha subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P85B_HUMAN	O00459	CHEMBL4437	PI3-kinase p85-beta subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PE2R1_HUMAN	P34995	CHEMBL1811	Prostanoid EP1 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PE2R3_HUMAN	P43115	CHEMBL3710	Prostanoid EP3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PF2R_BOVIN	P37289	CHEMBL4820	Prostanoid FP receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PF2R_HUMAN	P43088	CHEMBL1987	Prostanoid FP receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PK3CA_HUMAN	P42336	CHEMBL4005	PI3-kinase p110-alpha subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PK3CB_HUMAN	P42338	CHEMBL3145	PI3-kinase p110-beta subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PK3CD_HUMAN	O00329	CHEMBL3130	PI3-kinase p110-delta subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PK3CG_HUMAN	P48736	CHEMBL3267	PI3-kinase p110-gamma subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PLK1_HUMAN	P53350	CHEMBL3024	Serine/threonine-protein kinase PLK1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PLK3_HUMAN	Q9H4B4	CHEMBL4897	Serine/threonine-protein kinase PLK3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PRKDC_HUMAN	P78527	CHEMBL3142	DNA-dependent protein kinase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q72547_9HIV1	Q72547	CHEMBL247	Human immunodeficiency virus type 1 reverse transcriptase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q7ZJM1_9HIV1	Q7ZJM1	CHEMBL3471	Human immunodeficiency virus type 1 integrase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S22AC_HUMAN	Q96S37	CHEMBL6120	Solute carrier family 22 member 12	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S5A2_HUMAN	P31213	CHEMBL1856	Steroid 5-alpha-reductase 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A3_HUMAN	Q01959	CHEMBL238	Dopamine transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A3_RAT	P23977	CHEMBL338	Dopamine transporter	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SGMR1_HUMAN	Q99720	CHEMBL287	Sigma opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SGMR1_RAT	Q9R0C9	CHEMBL3602	Sigma opioid receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TYRO_AGABI	O42713	CHEMBL3318	Tyrosinase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104281	Z104281	CHEMBL1907587	Neuronal acetylcholine receptor; alpha3/beta2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104282	Z104282	CHEMBL1907588	Acetylcholine receptor; alpha1/beta1/delta/gamma	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104284	Z104284	CHEMBL1907590	Neuronal acetylcholine receptor; alpha2/beta4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104286	Z104286	CHEMBL1907592	Neuronal acetylcholine receptor; alpha2/beta2	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
Z104289	Z104289	CHEMBL1907595	Neuronal acetylcholine receptor; alpha4/beta4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104290	Z104290	CHEMBL1907596	Neuronal acetylcholine receptor; alpha4/beta2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104301	Z104301	CHEMBL1907607	GABA-A receptor; anion channel	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104303	Z104303	CHEMBL1907609	Muscarinic acetylcholine receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104304	Z104304	CHEMBL1907610	Adrenergic receptor alpha-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase