UCSF

E. coli Metabolome Database

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

Functional 10μM Targets with Highest Number of Available Compounds (113 in total)

Name (Code) Description Organism Class Size Browse Download (Annotations)
P2RY6-1-E Pyrimidinergic receptor P2Y6 (cluster #1 of 1) Eukaryotes 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2Y14-1-E P2Y purinoceptor 14 (cluster #1 of 2) Eukaryotes 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RY2-1-E Purinergic receptor P2Y2 (cluster #1 of 1) Eukaryotes 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RY4-1-E Pyrimidinergic receptor P2Y4 (cluster #1 of 1) Eukaryotes 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RY1-1-E P2Y purinoceptor 1 (cluster #1 of 1) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX1-1-E P2X purinoceptor 1 (cluster #1 of 1) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-5-O Plasmodium falciparum (cluster #5 of 22) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-7-O Rattus norvegicus (cluster #7 of 12) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80712-6-O T47D (Breast carcinoma cells) (cluster #6 of 7) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252-6-O MDA-MB-231 (Breast adenocarcinoma cells) (cluster #6 of 11) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA1-3-E Glutamate receptor ionotropic, AMPA 1 (cluster #3 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA2-3-E Glutamate receptor ionotropic, AMPA 2 (cluster #3 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA3-2-E Glutamate receptor ionotropic, AMPA 3 (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM1-4-E Metabotropic glutamate receptor 1 (cluster #4 of 5) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM8-1-E Metabotropic glutamate receptor 8 (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2-2-E HM74 nicotinic acid GPCR (cluster #2 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2Y11-1-E Purinergic receptor P2Y11 (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2Y12-1-E Purinergic receptor P2Y12 (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TAAR1-2-E Trace amine-associated receptor 1 (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-11-O Plasmodium falciparum (cluster #11 of 22) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-15-O Plasmodium falciparum (cluster #15 of 22) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587-2-O Homo sapiens (cluster #2 of 9) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594-1-O Mus musculus (cluster #1 of 9) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594-8-O Mus musculus (cluster #8 of 9) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50725-6-O Trypanosoma brucei rhodesiense (cluster #6 of 7) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193-2-O L1210 (Lymphocytic leukemia cells) (cluster #2 of 12) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583-1-O Vero (Kidney cells) (cluster #1 of 7) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583-4-O Vero (Kidney cells) (cluster #4 of 7) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583-7-O Vero (Kidney cells) (cluster #7 of 7) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874-1-O CEM (T-cell leukemia) (cluster #1 of 7) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R-1-E Adenosine A1 receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR-1-E Adenosine A2a receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2BR-1-E Adenosine A2b receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA3R-1-E Adenosine A3 receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY2-1-E Adenylate cyclase type II (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ARP19-1-E cyclic AMP phosphoprotein (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1-1-E Dopamine D1 receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2-1-E Dopamine D2 receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4-1-E Dopamine D4 receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GABR1-1-E GABA-B receptor 1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1-5-E GABA receptor alpha-1 subunit (cluster #5 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA2-4-E GABA receptor alpha-2 subunit (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA3-4-E GABA receptor alpha-3 subunit (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA4-4-E GABA receptor alpha-4 subunit (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA5-4-E GABA receptor alpha-5 subunit (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA6-4-E GABA receptor alpha-6 subunit (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB3-2-E GABA receptor beta-3 subunit (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG2-2-E GABA receptor gamma-2 subunit (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRR1-4-E GABA receptor rho-1 subunit (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRR2-2-E GABA receptor rho-2 subunit (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRR3-1-E GABA receptor rho-3 subunit (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA4-2-E Glutamate receptor ionotropic, AMPA 4 (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM2-1-E Metabotropic glutamate receptor 2 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM3-1-E Metabotropic glutamate receptor 3 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM4-1-E Metabotropic glutamate receptor 4 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5-5-E Metabotropic glutamate receptor 5 (cluster #5 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM6-1-E Metabotropic glutamate receptor 6 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KITH-1-E Thymidine kinase (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LUXP-2-B Autoinducer 2-binding periplasmic protein luxP (cluster #2 of 2) Bacteria 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE1-1-E Glutamate [NMDA] receptor subunit epsilon 1 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDZ1-1-E Glutamate (NMDA) receptor subunit zeta 1 (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX2-1-E P2X purinoceptor 2 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX3-1-E P2X purinoceptor 3 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX4-1-E P2X purinoceptor 4 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX5-1-E P2X purinoceptor 5 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX6-1-E P2X purinoceptor 6 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A11-2-E GABA transporter 3 (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A12-1-E Betaine transporter (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A13-2-E GABA transporter 2 (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A1-1-E GABA transporter 1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TLR2-1-E Toll-like receptor 2 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100081-2-O PBMC (Peripheral blood mononuclear cells) (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100766-1-O Radical scavenging activity (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101736-1-O Colletotrichum coccodes (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102138-1-O Vibrio harveyi (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50185-3-O Staphylococcus aureus (cluster #3 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50212-4-O Escherichia coli (cluster #4 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50380-3-O Mycobacterium smegmatis (cluster #3 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-10-O Plasmodium falciparum (cluster #10 of 22) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-12-O Plasmodium falciparum (cluster #12 of 22) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-21-O Plasmodium falciparum (cluster #21 of 22) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-3-O Plasmodium falciparum (cluster #3 of 22) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-6-O Plasmodium falciparum (cluster #6 of 22) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50426-2-O Plasmodium falciparum (isolate K1 / Thailand) (cluster #2 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50459-2-O Leishmania donovani (cluster #2 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512-1-O Cavia porcellus (cluster #1 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587-5-O Homo sapiens (cluster #5 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50588-2-O Canis familiaris (cluster #2 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50588-6-O Canis familiaris (cluster #6 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50592-3-O Oryctolagus cuniculus (cluster #3 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594-6-O Mus musculus (cluster #6 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-12-O Rattus norvegicus (cluster #12 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-8-O Rattus norvegicus (cluster #8 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50606-1-O Hepatitis B virus (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607-1-O Human immunodeficiency virus 1 (cluster #1 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607-8-O Human immunodeficiency virus 1 (cluster #8 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50611-3-O Moloney murine leukemia virus (cluster #3 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80064-1-O CCRF-CEM (T-cell leukemia) (cluster #1 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80136-1-O FM3A (Breast carcinoma cells) (cluster #1 of 6) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156-4-O HL-60 (Promyeloblast leukemia cells) (cluster #4 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186-4-O K562 (Erythroleukemia cells) (cluster #4 of 11) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193-7-O L1210 (Lymphocytic leukemia cells) (cluster #7 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80548-2-O THP-1 (Acute monocytic leukemia cells) (cluster #2 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80608-2-O ZR-75-1 (Breast carcinoma cells) (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80800-2-O MIA PaCa-2 (Pancreatic carcinoma cells) (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80945-1-O HEp-2 (Laryngeal carcinoma cells) (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80945-3-O HEp-2 (Laryngeal carcinoma cells) (cluster #3 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034-2-O A2780 (Ovarian carcinoma cells) (cluster #2 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034-3-O A2780 (Ovarian carcinoma cells) (cluster #3 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034-6-O A2780 (Ovarian carcinoma cells) (cluster #6 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81057-2-O HUVEC (Umbilical vein endothelial cells) (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247-2-O HeLa (Cervical adenocarcinoma cells) (cluster #2 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81338-1-O T-cells (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase