UCSF

Aronis (Make on Request)

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

Functional 10μM Targets with Highest Number of Available Compounds (69 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
Z100405 Z100405 CHEMBL613835 MV4-11 (Myeloid leukemia cells) 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80035 Z80035 CHEMBL381 B16 (Melanoma cells) 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50459 Z50459 CHEMBL367 Leishmania donovani 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425 Z50425 CHEMBL364 Plasmodium falciparum 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80491 Z80491 CHEMBL614163 SK-N-MC (Neuroepithelioma cells) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247 Z81247 CHEMBL399 HeLa (Cervical adenocarcinoma cells) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81331 Z81331 CHEMBL612262 SW-620 (Colon adenocarcinoma cells) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224 Z80224 CHEMBL387 MCF7 (Breast carcinoma cells) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5_RAT P31424 CHEMBL2564 Metabotropic glutamate receptor 5 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50466 Z50466 CHEMBL368 Trypanosoma cruzi 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50725 Z50725 CHEMBL612348 Trypanosoma brucei rhodesiense 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81138 Z81138 CHEMBL613872 ScN2a (Scrapie-infected neuroblastoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR_HUMAN P00533 CHEMBL203 Epidermal growth factor receptor erbB1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBA1A_RAT P68370 CHEMBL4139 Tubulin alpha-1 chain 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBB1_HUMAN Q9H4B7 CHEMBL1915 Tubulin beta-1 chain 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
VGFR1_HUMAN P17948 CHEMBL1868 Vascular endothelial growth factor receptor 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR2_HUMAN P35968 CHEMBL279 Vascular endothelial growth factor receptor 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR3_HUMAN P35916 CHEMBL1955 Vascular endothelial growth factor receptor 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50185 Z50185 CHEMBL352 Staphylococcus aureus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50420 Z50420 CHEMBL612851 Trypanosoma brucei brucei 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50426 Z50426 CHEMBL612856 Plasmodium falciparum (isolate K1 / Thailand) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597 Z50597 CHEMBL376 Rattus norvegicus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50609 Z50609 CHEMBL613499 Simian immunodeficiency virus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50650 Z50650 CHEMBL613738 Measles virus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156 Z80156 CHEMBL383 HL-60 (Promyeloblast leukemia cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80427 Z80427 CHEMBL614879 RKO (Colon carcinoma) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80578 Z80578 CHEMBL612800 UV4 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80667 Z80667 CHEMBL614262 AA8 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80928 Z80928 CHEMBL394 HCT-116 (Colon carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80936 Z80936 CHEMBL614818 HEK293 (Embryonic kidney fibroblasts) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81057 Z81057 CHEMBL613979 HUVEC (Umbilical vein endothelial 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
ANDR_RAT P15207 CHEMBL3072 Androgen Receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERR3_HUMAN P62508 CHEMBL4245 Estrogen-related receptor gamma 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPR44_HUMAN Q9Y5Y4 CHEMBL5071 G protein-coupled receptor 44 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GYRA_ECOLI P0AES4 CHEMBL1858 DNA gyrase subunit A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GYRB_ECOLI P0AES6 CHEMBL1826 DNA gyrase subunit B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2_HUMAN Q8TDS4 CHEMBL3785 Nicotinic acid 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
LPAR1_HUMAN Q92633 CHEMBL3819 Lysophosphatidic acid receptor Edg-2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LPAR2_HUMAN Q9HBW0 CHEMBL3724 Lysophosphatidic acid receptor Edg-4 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
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
PTAFR_HUMAN P25105 CHEMBL250 Platelet activating factor receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SMO_HUMAN Q99835 CHEMBL5971 Smoothened homolog 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TAAR1_MOUSE Q923Y8 CHEMBL4908 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
TRPV1_HUMAN Q8NER1 CHEMBL4794 Vanilloid receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPV1_RAT O35433 CHEMBL5102 Vanilloid receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100766 Z100766 CHEMBL613712 Radical scavenging activity 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50117 Z50117 CHEMBL348 Pseudomonas aeruginosa 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50186 Z50186 CHEMBL353 Staphylococcus epidermidis 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50212 Z50212 CHEMBL354 Escherichia coli 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
Z50587 Z50587 CHEMBL372 Homo sapiens 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50592 Z50592 CHEMBL374 Oryctolagus cuniculus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594 Z50594 CHEMBL375 Mus musculus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50602 Z50602 CHEMBL377 Human herpesvirus 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607 Z50607 CHEMBL378 Human immunodeficiency virus 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50643 Z50643 CHEMBL379 Hepatitis C virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80954 Z80954 CHEMBL614071 HFF (Foreskin fibroblasts) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81072 Z81072 CHEMBL397 Jurkat (Acute leukemic T-cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase