UCSF

Aronis (Make on Request)

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

Binding 10μM Targets with Highest Number of Available Compounds (138 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
CAH2_HUMAN P00918 CHEMBL205 Carbonic anhydrase II 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
FLT3_HUMAN P36888 CHEMBL1974 Tyrosine-protein kinase receptor FLT3 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
CHLE_HUMAN P06276 CHEMBL1914 Butyrylcholinesterase 14 Annotations Catalogs SMILES SDF Mol2 Flexibase
HYES_HUMAN P34913 CHEMBL2409 Epoxide hydratase 14 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH1_HUMAN P00915 CHEMBL261 Carbonic anhydrase I 13 Annotations Catalogs SMILES SDF Mol2 Flexibase
ELNE_HUMAN P08246 CHEMBL248 Leukocyte elastase 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
HYES_MOUSE P34914 CHEMBL4140 Epoxide hydratase 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH4_BOVIN Q95323 CHEMBL281 Carbonic anhydrase IV 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5A_MOUSE P23589 CHEMBL2330 Carbonic anhydrase VA 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5B_MOUSE Q9QZA0 CHEMBL4634 Carbonic anhydrase VB 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
MET_HUMAN P08581 CHEMBL3717 Hepatocyte growth factor receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1_HUMAN Q99720 CHEMBL287 Sigma opioid receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
TYRO_AGABI O42713 CHEMBL3318 Tyrosinase 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH12_HUMAN O43570 CHEMBL3242 Carbonic anhydrase XII 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH7_HUMAN P43166 CHEMBL2326 Carbonic anhydrase VII 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH9_HUMAN Q16790 CHEMBL3594 Carbonic anhydrase IX 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA7_HUMAN P36544 CHEMBL2492 Neuronal acetylcholine receptor protein alpha-7 subunit 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH14_HUMAN Q9ULX7 CHEMBL3510 Carbonic anhydrase XIV 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CYSP_TRYCR P25779 CHEMBL3563 Cruzipain 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
DHI1_HUMAN P28845 CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
INHA_MYCTU P0A5Y6 CHEMBL1849 Enoyl-[acyl-carrier-protein] reductase 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100491 Z100491 CHEMBL613288 Sigma 2 receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFB_HUMAN P27338 CHEMBL2039 Monoamine oxidase B 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5A_HUMAN P35218 CHEMBL4789 Carbonic anhydrase VA 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5B_HUMAN Q9Y2D0 CHEMBL3969 Carbonic anhydrase VB 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR_HUMAN P00533 CHEMBL203 Epidermal growth factor receptor erbB1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
FGFR1_HUMAN P11362 CHEMBL3650 Fibroblast growth factor receptor 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2_HUMAN Q8TDS4 CHEMBL3785 Nicotinic acid receptor 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
KIT_HUMAN P10721 CHEMBL1936 Stem cell growth factor receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PARP1_HUMAN P09874 CHEMBL3105 Poly [ADP-ribose] polymerase-1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2_HUMAN P35354 CHEMBL230 Cyclooxygenase-2 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
SRC_HUMAN P12931 CHEMBL267 Tyrosine-protein kinase SRC 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR1_HUMAN P17948 CHEMBL1868 Vascular endothelial growth factor receptor 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR2_HUMAN P35968 CHEMBL279 Vascular endothelial growth factor receptor 2 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ABL1_HUMAN P00519 CHEMBL1862 Tyrosine-protein kinase ABL 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CHLE_HORSE P81908 CHEMBL5763 Cholinesterase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR1_HUMAN P21554 CHEMBL218 Cannabinoid CB1 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR2_HUMAN P34972 CHEMBL253 Cannabinoid CB2 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP19A_HUMAN P11511 CHEMBL1978 Cytochrome P450 19A1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CSF1R_HUMAN P07333 CHEMBL1844 Macrophage colony stimulating factor receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CYNT_HELPY O24855 CHEMBL4211 Carbonic anhydrase 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DHI1_MOUSE P50172 CHEMBL3910 11-beta-hydroxysteroid dehydrogenase 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_HUMAN P14416 CHEMBL217 Dopamine D2 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM4_HUMAN Q14833 CHEMBL2736 Metabotropic glutamate receptor 4 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
O93874_CURLU O93874 CHEMBL3925 17-beta-hydroxysteroid-dehydrogenase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
P95276_MYCTU P95276 CHEMBL1795155 Epoxide hydrolase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRB_HUMAN P09619 CHEMBL1913 Platelet-derived growth factor receptor beta 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_HUMAN P23219 CHEMBL221 Cyclooxygenase-1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PRIO_HUMAN P04156 CHEMBL4869 Prion protein 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q8T6T2_CRYPV Q8T6T2 CHEMBL6145 Inosine-5'-monophosphate dehydrogenase, probable 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
RON_HUMAN Q04912 CHEMBL2689 Macrophage-stimulating protein receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN1A_HUMAN P35498 CHEMBL1845 Sodium channel protein type I alpha subunit 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
SCN3A_HUMAN Q9NY46 CHEMBL5163 Sodium channel protein type III alpha subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN8A_HUMAN Q9UQD0 CHEMBL5202 Sodium channel protein type VIII alpha subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
THRB_HUMAN P00734 CHEMBL204 Thrombin 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TIE2_HUMAN Q02763 CHEMBL4128 Tyrosine-protein kinase TIE-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
5HT2A_HUMAN P28223 CHEMBL224 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
5HT2C_HUMAN P28335 CHEMBL225 Serotonin 2c (5-HT2c) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
A4_HUMAN P05067 CHEMBL2487 Beta amyloid A4 protein 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_HUMAN P22303 CHEMBL220 Acetylcholinesterase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AK1C2_HUMAN P52895 CHEMBL5847 Aldo-keto reductase family 1 member C2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AK1C3_HUMAN P42330 CHEMBL4681 Aldo-keto-reductase family 1 member C3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AMPM1_HUMAN P53582 CHEMBL2474 Methionine aminopeptidase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR_HUMAN P10275 CHEMBL1871 Androgen Receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR_RAT P15207 CHEMBL3072 Androgen Receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFA_HUMAN P21397 CHEMBL1951 Monoamine oxidase A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
BLA1_STEMA P52700 CHEMBL3326 Beta-lactamase L1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH3_HUMAN P07451 CHEMBL2885 Carbonic anhydrase III 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH6_HUMAN P23280 CHEMBL3025 Carbonic anhydrase VI 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CBPA1_BOVIN P00730 CHEMBL3481 Carboxypeptidase A1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCR3_HUMAN P51677 CHEMBL3473 C-C chemokine receptor type 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CTRA_BOVIN P00766 CHEMBL3314 Alpha-chymotrypsin 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_RAT P61169 CHEMBL339 Dopamine D2 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_HUMAN P35462 CHEMBL234 Dopamine D3 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4_HUMAN P21917 CHEMBL219 Dopamine D4 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRTS_PLAFK P13922 CHEMBL1939 Dihydrofolate reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYN1_HUMAN Q05193 CHEMBL4958 Dynamin-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR_HUMAN P00374 CHEMBL202 Dihydrofolate reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EDNRA_RAT P26684 CHEMBL4566 Endothelin receptor ET-A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERBB2_HUMAN P04626 CHEMBL1824 Receptor protein-tyrosine kinase erbB-2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERG2_YEAST P32352 CHEMBL3224 C-8 sterol isomerase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EST1_HUMAN P23141 CHEMBL2265 Acyl coenzyme A:cholesterol acyltransferase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EST1_RABIT P12337 CHEMBL2623 Acyl coenzyme A:cholesterol acyltransferase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EST2_HUMAN O00748 CHEMBL3180 Carboxylesterase 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GLR_HUMAN P47871 CHEMBL1985 Glucagon receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPR44_HUMAN Q9Y5Y4 CHEMBL5071 G protein-coupled receptor 44 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5_HUMAN P41594 CHEMBL3227 Metabotropic glutamate receptor 5 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GSK3B_HUMAN P49841 CHEMBL262 Glycogen synthase kinase-3 beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GUAD_HUMAN Q9Y2T3 CHEMBL3129 Guanine deaminase 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
KCNH2_HUMAN Q12809 CHEMBL240 HERG 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LIPS_RAT P15304 CHEMBL5582 Hormone-sensitive lipase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX12_HUMAN P18054 CHEMBL3687 Arachidonate 12-lipoxygenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX15_HUMAN P16050 CHEMBL2903 Arachidonate 15-lipoxygenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX1_SOYBN P08170 CHEMBL4586 Seed lipoxygenase-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_HUMAN P09917 CHEMBL215 Arachidonate 5-lipoxygenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_MOUSE P48999 CHEMBL5211 Arachidonate 5-lipoxygenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_RAT P12527 CHEMBL312 Arachidonate 5-lipoxygenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDHC_HUMAN P40925 CHEMBL3560 Malate dehydrogenase cytoplasmic 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDHM_PIG P00346 CHEMBL3444 Malate dehydrogenase mitochondrial 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MIF_HUMAN P14174 CHEMBL2085 Macrophage migration inhibitory factor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDZ1_RAT P35439 CHEMBL330 Glutamate (NMDA) receptor subunit zeta 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
O49150_SOLTU O49150 CHEMBL3317 5-lipoxygenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
OXDA_HUMAN P14920 CHEMBL5485 D-amino-acid oxidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P90584_PLAFA P90584 CHEMBL4090 Protein kinase Pfmrk 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P96878_MYCTU P96878 CHEMBL5767 PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PARC_STAAU P0C1U9 CHEMBL4088 Topoisomerase IV subunit A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_BOVIN O62664 CHEMBL2860 Cyclooxygenase-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_MOUSE P22437 CHEMBL2649 Cyclooxygenase-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2_BOVIN O62698 CHEMBL3331 Cyclooxygenase-2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2_MOUSE Q05769 CHEMBL4321 Cyclooxygenase-2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPIA_HUMAN P62937 CHEMBL1949 Cyclophilin A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PTN1_HUMAN P18031 CHEMBL335 Protein-tyrosine phosphatase 1B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q72874_9HIV1 Q72874 CHEMBL243 Human immunodeficiency virus type 1 protease 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q95PM0_TRYBR Q95PM0 CHEMBL4188 Rhodesain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9N6S8_PLAFA Q9N6S8 CHEMBL5800 Falcipain 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S22A6_MOUSE Q8VC69 CHEMBL5653 Solute carrier family 22 member 6 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S5A1_RAT P24008 CHEMBL3422 Steroid 5-alpha-reductase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S5A2_RAT P31214 CHEMBL5099 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
SHBG_HUMAN P04278 CHEMBL3305 Testis-specific androgen-binding protein 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TAAR1_MOUSE Q923Y8 CHEMBL4908 Trace amine-associated receptor1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TOP2A_HUMAN P11388 CHEMBL1806 DNA topoisomerase II alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TOP2B_HUMAN Q02880 CHEMBL3396 DNA topoisomerase II beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRY1_HUMAN P07477 CHEMBL209 Trypsin I 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRY2_HUMAN P07478 CHEMBL3159 Trypsin II 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TYSY_ECOLI P0A884 CHEMBL2555 Thymidylate synthase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TYSY_ENTFA Q834R3 CHEMBL1795144 Thymidylate synthase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TYSY_HUMAN P04818 CHEMBL1952 Thymidylate synthase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TYSY_LACCA P00469 CHEMBL5328 Thymidylate synthase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
UROK_HUMAN P00749 CHEMBL3286 Urokinase-type plasminogen activator 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Y1284_MYCTU P64797 CHEMBL5631 Uncharacterized protein Rv1284/MT1322 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104301 Z104301 CHEMBL1907607 GABA-A receptor; anion channel 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104302 Z104302 CHEMBL1907608 Glutamate NMDA receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase