UCSF

Nubbe Natural Products

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

Binding 10μM Targets with Highest Number of Available Compounds (141 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
CAH12_HUMAN O43570 CHEMBL3242 Carbonic anhydrase XII 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH1_HUMAN P00915 CHEMBL261 Carbonic anhydrase I 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH2_HUMAN P00918 CHEMBL205 Carbonic anhydrase II 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH6_HUMAN P23280 CHEMBL3025 Carbonic anhydrase VI 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH9_HUMAN Q16790 CHEMBL3594 Carbonic anhydrase IX 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1B1_HUMAN Q16678 CHEMBL4878 Cytochrome P450 1B1 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALDR_RAT P07943 CHEMBL2622 Aldose reductase 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5A_HUMAN P35218 CHEMBL4789 Carbonic anhydrase VA 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH7_HUMAN P43166 CHEMBL2326 Carbonic anhydrase VII 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q965D5_PLAFA Q965D5 CHEMBL4150 Enoyl-acyl-carrier protein reductase 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
XDH_HUMAN P47989 CHEMBL1929 Xanthine dehydrogenase 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
ABCG2_HUMAN Q9UNQ0 CHEMBL5393 ATP-binding cassette sub-family G member 2 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH14_HUMAN Q9ULX7 CHEMBL3510 Carbonic anhydrase XIV 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH3_HUMAN P07451 CHEMBL2885 Carbonic anhydrase III 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP19A_HUMAN P11511 CHEMBL1978 Cytochrome P450 19A1 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
GSK3A_HUMAN P49840 CHEMBL2850 Glycogen synthase kinase-3 alpha 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
GSK3B_HUMAN P49841 CHEMBL262 Glycogen synthase kinase-3 beta 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q965D6_PLAFA Q965D6 CHEMBL4513 3-oxoacyl-acyl-carrier protein reductase 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R_RAT P25099 CHEMBL318 Adenosine A1 receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALDR_BOVIN P16116 CHEMBL3081 Aldose reductase 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALDR_HUMAN P15121 CHEMBL1900 Aldose reductase 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFA_HUMAN P21397 CHEMBL1951 Monoamine oxidase A 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH4_HUMAN P22748 CHEMBL3729 Carbonic anhydrase IV 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5B_HUMAN Q9Y2D0 CHEMBL3969 Carbonic anhydrase VB 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK1_HUMAN P06493 CHEMBL308 Cyclin-dependent kinase 1 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
MRP1_HUMAN P33527 CHEMBL3004 Multidrug resistance-associated protein 1 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOX4_HUMAN Q9NPH5 CHEMBL1250375 NADPH oxidase 4 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q965D7_PLAFA Q965D7 CHEMBL4512 Fatty acid synthase 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNB1_HUMAN P14635 CHEMBL2412 G2/mitotic-specific cyclin B1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNB2_HUMAN O95067 CHEMBL3723 G2/mitotic-specific cyclin B2 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNB3_HUMAN Q8WWL7 CHEMBL3606 G2/mitotic-specific cyclin B3 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERG1_RAT P52020 CHEMBL4241 Squalene monooxygenase 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1_HUMAN P14867 CHEMBL1962 GABA receptor alpha-1 subunit 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA2_HUMAN P47869 CHEMBL4956 GABA receptor alpha-2 subunit 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA3_HUMAN P34903 CHEMBL3026 GABA receptor alpha-3 subunit 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA4_HUMAN P48169 CHEMBL2472 GABA receptor alpha-4 subunit 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA5_HUMAN P31644 CHEMBL5112 GABA receptor alpha-5 subunit 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA6_HUMAN Q16445 CHEMBL2579 GABA receptor alpha-6 subunit 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
LGUL_HUMAN Q04760 CHEMBL2424 Glyoxalase I 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
NANH_CLOPE P10481 CHEMBL5189 Sialidase 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104294 Z104294 CHEMBL1907600 Cyclin-dependent kinase 5/CDK5 activator 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104301 Z104301 CHEMBL1907607 GABA-A receptor; anion channel 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_RAT P30543 CHEMBL302 Adenosine A2a receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A_HUMAN P08913 CHEMBL1867 Alpha-2a adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C_HUMAN P18825 CHEMBL1916 Alpha-2c adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
BACE1_HUMAN P56817 CHEMBL4822 Beta-secretase 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH13_MOUSE Q9D6N1 CHEMBL2186 Carbonic anhydrase XIII 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH15_MOUSE Q99N23 CHEMBL5973 Carbonic anhydrase 15 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK6_HUMAN Q00534 CHEMBL2508 Cyclin-dependent kinase 6 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CSK21_HUMAN P68400 CHEMBL3629 Casein kinase II alpha 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CSK2B_HUMAN P67870 CHEMBL2358 Casein kinase II beta 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DHB1_HUMAN P14061 CHEMBL3181 Estradiol 17-beta-dehydrogenase 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DHB2_HUMAN P37059 CHEMBL2789 Estradiol 17-beta-dehydrogenase 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DPOLB_RAT P06766 CHEMBL4343 DNA polymerase beta 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR_HUMAN P00533 CHEMBL203 Epidermal growth factor receptor erbB1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX15_RABIT P12530 CHEMBL4358 Arachidonate 15-lipoxygenase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX1_SOYBN P08170 CHEMBL4586 Seed lipoxygenase-1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_HUMAN P09917 CHEMBL215 Arachidonate 5-lipoxygenase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_RAT P12527 CHEMBL312 Arachidonate 5-lipoxygenase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PTN1_HUMAN P18031 CHEMBL335 Protein-tyrosine phosphatase 1B 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q2PCB5_DICLA Q2PCB5 CHEMBL1795125 Carbonic anhydrase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q7ZJM1_9HIV1 Q7ZJM1 CHEMBL3471 Human immunodeficiency virus type 1 integrase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
XDH_BOVIN P80457 CHEMBL3649 Xanthine dehydrogenase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D_PIG P79400 CHEMBL4105 Serotonin 1d (5-HT1d) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_HUMAN P28335 CHEMBL225 Serotonin 2c (5-HT2c) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5NTD_RAT P21588 CHEMBL1075214 5'-nucleotidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
6PGD_HUMAN P52209 CHEMBL3404 6-phosphogluconate dehydrogenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA3R_HUMAN P33765 CHEMBL256 Adenosine A3 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACE_RABIT P12822 CHEMBL4074 Angiotensin-converting enzyme 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA7_HUMAN P36544 CHEMBL2492 Neuronal acetylcholine receptor protein alpha-7 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B_HUMAN P18089 CHEMBL1942 Alpha-2b adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AHR_HUMAN P35869 CHEMBL3201 Aryl hydrocarbon receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AK1A1_RAT P51635 CHEMBL3871 Aldehyde reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AK1CL_MOUSE Q91WR5 CHEMBL1075270 Aldo-keto reductase family 1 member C21 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AMPC_ECOLI P00811 CHEMBL2026 Beta-lactamase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AMPH_ECOLI P0AD70 CHEMBL4413 Penicillin-binding protein ampH 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFA_BOVIN P21398 CHEMBL3254 Monoamine oxidase A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFB_HUMAN P27338 CHEMBL2039 Monoamine oxidase B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFB_MOUSE Q8BW75 CHEMBL3050 Monoamine oxidase B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
BCL2_HUMAN P10415 CHEMBL4860 Apoptosis regulator Bcl-2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
BGLR_RAT P06760 CHEMBL4814 Beta-glucuronidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1C_RAT P22002 CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CBR1_HUMAN P16152 CHEMBL5586 Carbonyl reductase [NADPH] 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CD38_HUMAN P28907 CHEMBL4660 Lymphocyte differentiation antigen CD38 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DPOLB_HUMAN P06746 CHEMBL2392 DNA polymerase beta 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
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
FABI_ECOLI P0AEK4 CHEMBL1857 Enoyl-[acyl-carrier-protein] reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FPS_FUJSV P00530 CHEMBL5708 Tyrosine-protein kinase transforming protein FPS 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
G6PD_YEAST P11412 CHEMBL1075249 Glucose-6-phosphate 1-dehydrogenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB1_HUMAN P18505 CHEMBL4558 GABA receptor beta-1 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB2_HUMAN P47870 CHEMBL1920 GABA receptor beta-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB3_HUMAN P28472 CHEMBL1847 GABA receptor beta-3 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRD_HUMAN O14764 CHEMBL3591 GABA receptor delta subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRE_HUMAN P78334 CHEMBL4635 GABA receptor epsilon subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG1_HUMAN Q8N1C3 CHEMBL4044 GABA receptor gamma-1 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG2_HUMAN P18507 CHEMBL1788 GABA receptor gamma-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG3_HUMAN Q99928 CHEMBL2739 GABA receptor gamma-3 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRP_HUMAN O00591 CHEMBL3506 GABA receptor pi subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRT_HUMAN Q9UN88 CHEMBL2843 GABA receptor theta subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HSF1_HUMAN Q00613 CHEMBL5869 Heat shock factor protein 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
INSR_HUMAN P06213 CHEMBL1981 Insulin receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2_HUMAN Q12809 CHEMBL240 HERG 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KD4DL_HUMAN B2RXH2 CHEMBL1293226 Lysine-specific demethylase 4D-like 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
MDH_THETH P10584 CHEMBL4255 Malate dehydrogenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDR3_MOUSE P21447 CHEMBL2573 P-glycoprotein 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MET_HUMAN P08581 CHEMBL3717 Hepatocyte growth factor receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK14_HUMAN Q16539 CHEMBL260 MAP kinase p38 alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP14_HUMAN P50281 CHEMBL3869 Matrix metalloproteinase 14 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP2_HUMAN P08253 CHEMBL333 Matrix metalloproteinase-2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MYLK_HUMAN Q15746 CHEMBL2428 Myosin light chain kinase, smooth muscle 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NQO2_HUMAN P16083 CHEMBL3959 Quinone reductase 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
O49150_SOLTU O49150 CHEMBL3317 5-lipoxygenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRD_HUMAN P41143 CHEMBL236 Delta opioid receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRD_PIG P79291 CHEMBL4103 Delta 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
P90584_PLAFA P90584 CHEMBL4090 Protein kinase Pfmrk 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PA21B_HUMAN P04054 CHEMBL4426 Phospholipase A2 group 1B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2_HUMAN P35354 CHEMBL230 Cyclooxygenase-2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PIM1_HUMAN P11309 CHEMBL2147 Serine/threonine-protein kinase PIM1 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
PTN11_HUMAN Q06124 CHEMBL3864 Protein-tyrosine phosphatase 2C 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PTN2_HUMAN P17706 CHEMBL3807 T-cell protein-tyrosine phosphatase 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
R1AB_CVHSA P0C6X7 CHEMBL5118 Replicase polyprotein 1ab 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBB1_HUMAN Q9H4B7 CHEMBL1915 Tubulin beta-1 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBB3_HUMAN Q13509 CHEMBL2597 Tubulin beta-3 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBB4A_HUMAN P04350 CHEMBL3838 Tubulin beta-4 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBB4B_HUMAN P68371 CHEMBL1848 Tubulin beta-2 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBB8_HUMAN Q3ZCM7 CHEMBL4024 Tubulin beta-8 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TOP1_RAT Q9WUL0 CHEMBL1075164 DNA topoisomerase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRY1_HUMAN P07477 CHEMBL209 Trypsin I 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104283 Z104283 CHEMBL1907589 Neuronal acetylcholine receptor; alpha4/beta2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase