UCSF

TimTec Natural Derivatives

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

Functional 10μM Targets with Highest Number of Available Compounds (90 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
Z50425 Z50425 CHEMBL364 Plasmodium falciparum 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512 Z50512 CHEMBL369 Cavia porcellus 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597 Z50597 CHEMBL376 Rattus norvegicus 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR_HUMAN P00533 CHEMBL203 Epidermal growth factor receptor erbB1 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR1_HUMAN P17948 CHEMBL1868 Vascular endothelial growth factor receptor 1 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR2_HUMAN P35968 CHEMBL279 Vascular endothelial growth factor receptor 2 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR3_HUMAN P35916 CHEMBL1955 Vascular endothelial growth factor receptor 3 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682 Z80682 CHEMBL392 A549 (Lung carcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81057 Z81057 CHEMBL613979 HUVEC (Umbilical vein endothelial cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2BR_RAT P29276 CHEMBL2592 Adenosine A2b receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607 Z50607 CHEMBL378 Human immunodeficiency virus 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_CAVPO P46616 CHEMBL2605 Adenosine A2a receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_RAT P30543 CHEMBL302 Adenosine A2a receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2BR_HUMAN P29275 CHEMBL255 Adenosine A2b receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE1B_RAT Q01066 CHEMBL3665 Phosphodiesterase 1B 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104301 Z104301 CHEMBL1907607 GABA-A receptor; anion channel 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104304 Z104304 CHEMBL1907610 Adrenergic receptor alpha-1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50530 Z50530 CHEMBL371 Human herpesvirus 5 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50592 Z50592 CHEMBL374 Oryctolagus cuniculus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594 Z50594 CHEMBL375 Mus musculus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50600 Z50600 CHEMBL613493 Vaccinia virus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224 Z80224 CHEMBL387 MCF7 (Breast carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80418 Z80418 CHEMBL612557 RAW264.7 (Monocytic-macrophage leukemia cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583 Z80583 CHEMBL391 Vero (Kidney cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81115 Z81115 CHEMBL398 KB (Squamous cell carcinoma) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A_HUMAN P35348 CHEMBL229 Alpha-1a adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A_HUMAN P08913 CHEMBL1867 Alpha-2a adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B_HUMAN P18089 CHEMBL1942 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
ADRB1_HUMAN P08588 CHEMBL213 Beta-1 adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1_RAT P18090 CHEMBL3252 Beta-1 adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_CANFA P54833 CHEMBL2289 Beta-2 adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_HUMAN P07550 CHEMBL210 Beta-2 adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_RAT P10608 CHEMBL3754 Beta-2 adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB3_HUMAN P13945 CHEMBL246 Beta-3 adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB3_RAT P26255 CHEMBL4031 Beta-3 adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ARP19_RAT Q712U5 CHEMBL2170 cyclic AMP phosphoprotein 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1_HUMAN P21728 CHEMBL2056 Dopamine D1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1_RAT P18901 CHEMBL265 Dopamine D1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_HUMAN P14416 CHEMBL217 Dopamine D2 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_RAT P61169 CHEMBL339 Dopamine D2 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4_HUMAN P21917 CHEMBL219 Dopamine D4 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4_RAT P30729 CHEMBL3361 Dopamine D4 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH2_HUMAN P25021 CHEMBL1941 Histamine H2 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE1C_RAT Q63421 CHEMBL2651 Phosphodiesterase 1C 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
Q9EPR9_RAT Q9EPR9 CHEMBL2740 Phosphodiesterase 1A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9WTR4_RAT Q9WTR4 CHEMBL304 Norepinephrine transporter 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3_RAT P23977 CHEMBL338 Dopamine transporter 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_RAT P31652 CHEMBL313 Serotonin transporter 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100741 Z100741 CHEMBL614867 MC9 (Mast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101794 Z101794 CHEMBL612743 Felid herpesvirus 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102333 Z102333 CHEMBL613633 Ileum 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
Z103204 Z103204 CHEMBL1075389 A427 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103216 Z103216 CHEMBL1075401 C32 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50028 Z50028 CHEMBL347 Streptococcus pneumoniae 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50185 Z50185 CHEMBL352 Staphylococcus aureus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50420 Z50420 CHEMBL612851 Trypanosoma brucei brucei 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50422 Z50422 CHEMBL612853 Entamoeba histolytica 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50426 Z50426 CHEMBL612856 Plasmodium falciparum (isolate K1 / Thailand) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50515 Z50515 CHEMBL370 Human herpesvirus 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50517 Z50517 CHEMBL613123 Human herpesvirus 5 strain AD169 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50518 Z50518 CHEMBL613124 Human herpesvirus 4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50527 Z50527 CHEMBL613132 Human herpesvirus 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587 Z50587 CHEMBL372 Homo sapiens 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50588 Z50588 CHEMBL373 Canis familiaris 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50590 Z50590 CHEMBL613488 Sus scrofa 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50602 Z50602 CHEMBL377 Human herpesvirus 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50606 Z50606 CHEMBL613497 Hepatitis B virus 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
Z80166 Z80166 CHEMBL384 HT-29 (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80188 Z80188 CHEMBL614590 KB 3-1 (Cervical epithelial carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193 Z80193 CHEMBL386 L1210 (Lymphocytic leukemia cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80214 Z80214 CHEMBL614317 M14 (Melanoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80285 Z80285 CHEMBL614177 MOLT-4 (Acute T-lymphoblastic leukemia cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80291 Z80291 CHEMBL614181 MRC5 (Embryonic lung fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80362 Z80362 CHEMBL389 P388 (Lymphoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390 Z80390 CHEMBL390 PC-3 (Prostate carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80414 Z80414 CHEMBL614628 Raji (B-lymphoblastic cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80539 Z80539 CHEMBL614775 T98G (Glioblastoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874 Z80874 CHEMBL393 CEM (T-cell leukemia) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80942 Z80942 CHEMBL613888 HEL (Embryonic lung cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80945 Z80945 CHEMBL614735 HEp-2 (Laryngeal carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80954 Z80954 CHEMBL614071 HFF (Foreskin fibroblasts) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247 Z81247 CHEMBL399 HeLa (Cervical adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase