UCSF

ChemDiv BuildingBlocks

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

Functional 10μM Targets with Highest Number of Available Compounds (252 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
Z50425 Z50425 CHEMBL364 Plasmodium falciparum 36 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597 Z50597 CHEMBL376 Rattus norvegicus 27 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247 Z81247 CHEMBL399 HeLa (Cervical adenocarcinoma cells) 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224 Z80224 CHEMBL387 MCF7 (Breast carcinoma cells) 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50468 Z50468 CHEMBL612652 Giardia intestinalis 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193 Z80193 CHEMBL386 L1210 (Lymphocytic leukemia cells) 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594 Z50594 CHEMBL375 Mus musculus 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50422 Z50422 CHEMBL612853 Entamoeba histolytica 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607 Z50607 CHEMBL378 Human immunodeficiency virus 1 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682 Z80682 CHEMBL392 A549 (Lung carcinoma cells) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874 Z80874 CHEMBL393 CEM (T-cell leukemia) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2_HUMAN Q8TDS4 CHEMBL3785 Nicotinic acid receptor 1 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50466 Z50466 CHEMBL368 Trypanosoma cruzi 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512 Z50512 CHEMBL369 Cavia porcellus 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166 Z80166 CHEMBL384 HT-29 (Colon adenocarcinoma cells) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186 Z80186 CHEMBL385 K562 (Erythroleukemia cells) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252 Z81252 CHEMBL400 MDA-MB-231 (Breast adenocarcinoma cells) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587 Z50587 CHEMBL372 Homo sapiens 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80035 Z80035 CHEMBL381 B16 (Melanoma cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80064 Z80064 CHEMBL382 CCRF-CEM (T-cell leukemia) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156 Z80156 CHEMBL383 HL-60 (Promyeloblast leukemia cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80164 Z80164 CHEMBL614580 HT-1080 (Fibrosarcoma cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80347 Z80347 CHEMBL614208 NUGC-3 (Gastric carcinoma cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80418 Z80418 CHEMBL612557 RAW264.7 (Monocytic-macrophage leukemia cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81170 Z81170 CHEMBL612518 LNCaP (Prostate carcinoma) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81335 Z81335 CHEMBL612263 HCT-15 (Colon adenocarcinoma cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR_RAT P15207 CHEMBL3072 Androgen Receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_RAT P12527 CHEMBL312 Arachidonate 5-lipoxygenase 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50324 Z50324 CHEMBL612710 Arabidopsis thaliana 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50652 Z50652 CHEMBL613740 Influenza A virus 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80101 Z80101 CHEMBL614562 COLO 320DM (Colon adenocarcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80120 Z80120 CHEMBL614285 DLD-1 (Colon adenocarcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80208 Z80208 CHEMBL614720 L5178Y (Lymphoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80268 Z80268 CHEMBL614353 MKN-28 (Gastric epithelial carcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80269 Z80269 CHEMBL614354 MKN-45 (Gastric adenocarcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80362 Z80362 CHEMBL389 P388 (Lymphoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80525 Z80525 CHEMBL614055 SW48 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80532 Z80532 CHEMBL614774 T-24 (Bladder carcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80686 Z80686 CHEMBL614274 AZ-521 cell line 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81048 Z81048 CHEMBL613973 TSU (Prostatic carcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81121 Z81121 CHEMBL613996 KKLS cell line 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81137 Z81137 CHEMBL612267 L929 (Fibroblast cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81330 Z81330 CHEMBL614304 SNU- 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B_HUMAN P28222 CHEMBL1898 Serotonin 1b (5-HT1b) receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_HUMAN P09917 CHEMBL215 Arachidonate 5-lipoxygenase 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_RAT P31652 CHEMBL313 Serotonin transporter 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101682 Z101682 CHEMBL613915 BK polyomavirus 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101821 Z101821 CHEMBL612765 H2N2 subtype 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101822 Z101822 CHEMBL613193 H3N2 subtype 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50380 Z50380 CHEMBL613088 Mycobacterium smegmatis 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50426 Z50426 CHEMBL612856 Plasmodium falciparum (isolate K1 / Thailand) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80136 Z80136 CHEMBL614297 FM3A (Breast carcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80211 Z80211 CHEMBL614721 LoVo (Colon adenocarcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583 Z80583 CHEMBL391 Vero (Kidney cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81135 Z81135 CHEMBL614793 L6 (Skeletal muscle myoblast cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_CAVPO P46616 CHEMBL2605 Adenosine A2a receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ABL1_HUMAN P00519 CHEMBL1862 Tyrosine-protein kinase ABL 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
BCR_HUMAN P11274 CHEMBL5146 Breakpoint cluster region protein 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CXCR1_HUMAN P25024 CHEMBL4029 Interleukin-8 receptor A 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CXCR2_HUMAN P25025 CHEMBL2434 Interleukin-8 receptor B 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1_BOVIN Q95136 CHEMBL2967 Dopamine D1 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_BOVIN P20288 CHEMBL3998 Dopamine D2 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH2_HUMAN P25021 CHEMBL1941 Histamine H2 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRP1_PLAFA P05227 CHEMBL1923 Histidine-rich protein 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2_HUMAN Q12809 CHEMBL240 HERG 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE1B_RAT Q01066 CHEMBL3665 Phosphodiesterase 1B 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_MOUSE P22437 CHEMBL2649 Cyclooxygenase-1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2_MOUSE Q05769 CHEMBL4321 Cyclooxygenase-2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARA_HUMAN Q07869 CHEMBL239 Peroxisome proliferator-activated receptor alpha 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG_HUMAN P37231 CHEMBL235 Peroxisome proliferator-activated receptor gamma 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG_MOUSE P37238 CHEMBL2459 Peroxisome proliferator-activated receptor gamma 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A11_RAT P31647 CHEMBL3598 GABA transporter 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A12_RAT P48056 CHEMBL5248 Betaine transporter 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A13_RAT P31646 CHEMBL4889 GABA transporter 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A1_RAT P23978 CHEMBL4054 GABA transporter 1 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
TAAR1_HUMAN Q96RJ0 CHEMBL5857 Trace amine-associated receptor 1 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
TRPA1_MOUSE Q8BLA8 CHEMBL1075310 Transient receptor potential cation channel subfamily A member 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPM8_HUMAN Q7Z2W7 CHEMBL1075319 Transient receptor potential cation channel subfamily M member 8 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
Z100275 Z100275 CHEMBL613898 Hemozoin 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100498 Z100498 CHEMBL613289 Hepatocytes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102013 Z102013 CHEMBL613257 Plasmodium malariae 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102015 Z102015 CHEMBL613013 Plasmodium vivax 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102380 Z102380 CHEMBL613680 Ileum 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50038 Z50038 CHEMBL612328 Plasmodium yoelii yoelii 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50136 Z50136 CHEMBL612608 Plasmodium falciparum (isolate FcB1 / Columbia) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50142 Z50142 CHEMBL612610 Influenza A virus (A/PR/8/34(H1N1)) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50212 Z50212 CHEMBL354 Escherichia coli 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50418 Z50418 CHEMBL612849 Trypanosoma brucei 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50424 Z50424 CHEMBL612855 Cryptosporidium parvum 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50459 Z50459 CHEMBL367 Leishmania donovani 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50473 Z50473 CHEMBL612653 Plasmodium berghei 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50474 Z50474 CHEMBL612889 Plasmodium yoelii 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50588 Z50588 CHEMBL373 Canis familiaris 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50590 Z50590 CHEMBL613488 Sus scrofa 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50592 Z50592 CHEMBL374 Oryctolagus cuniculus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80106 Z80106 CHEMBL614563 COS-1 (Kidney cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80169 Z80169 CHEMBL614039 Huh-7 (Hepatocellular carcinoma) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80244 Z80244 CHEMBL614335 MDA-MB-468 (Breast adenocarcinoma) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390 Z80390 CHEMBL390 PC-3 (Prostate carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80485 Z80485 CHEMBL614919 SK-MEL-28 (Melanoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80493 Z80493 CHEMBL614925 SK-OV-3 (Ovarian carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80561 Z80561 CHEMBL615023 U2OS (Osteosarcoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80712 Z80712 CHEMBL614361 T47D (Breast carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80928 Z80928 CHEMBL394 HCT-116 (Colon carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020 Z81020 CHEMBL395 HepG2 (Hepatoblastoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034 Z81034 CHEMBL614004 A2780 (Ovarian carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81047 Z81047 CHEMBL614685 Human T-cell line 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81068 Z81068 CHEMBL614649 Ishikawa (Uterine carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81072 Z81072 CHEMBL397 Jurkat (Acute leukemic T-cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81115 Z81115 CHEMBL398 KB (Squamous cell carcinoma) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81117 Z81117 CHEMBL613995 Keratinocytes (Keratinocytes) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81138 Z81138 CHEMBL613872 ScN2a (Scrapie-infected neuroblastoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D_HUMAN P28221 CHEMBL1983 Serotonin 1d (5-HT1d) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_HUMAN P28223 CHEMBL224 Serotonin 2a (5-HT2a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_HUMAN P28335 CHEMBL225 Serotonin 2c (5-HT2c) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A_MOUSE P23979 CHEMBL4972 Serotonin 3a (5-HT3a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_RAT P30543 CHEMBL302 Adenosine A2a receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2BR_RAT P29276 CHEMBL2592 Adenosine A2b receptor 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
ADCY2_RAT P26769 CHEMBL2958 Adenylate cyclase type II 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY3_RAT P21932 CHEMBL4864 Adenylate cyclase type III 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY4_RAT P26770 CHEMBL2879 Adenylate cyclase type IV 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY5_RAT Q04400 CHEMBL2880 Adenylate cyclase type V 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY6_RAT Q03343 CHEMBL2975 Adenylate cyclase type VI 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY8_RAT P40146 CHEMBL3082 Adenylate cyclase type VIII 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR_HUMAN P10275 CHEMBL1871 Androgen Receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH1_HUMAN P00915 CHEMBL261 Carbonic anhydrase I 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH2_HUMAN P00918 CHEMBL205 Carbonic anhydrase II 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH4_BOVIN Q95323 CHEMBL281 Carbonic anhydrase IV 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH9_HUMAN Q16790 CHEMBL3594 Carbonic anhydrase IX 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
D4A3N4_RAT D4A3N4 CHEMBL2679 Brain adenylate cyclase 1 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
DRD3_HUMAN P35462 CHEMBL234 Dopamine D3 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_RAT P19020 CHEMBL3138 Dopamine D3 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
DRD5_RAT P25115 CHEMBL2281 Dopamine D5 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
GPR44_HUMAN Q9Y5Y4 CHEMBL5071 G protein-coupled receptor 44 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM6_HUMAN O15303 CHEMBL4573 Metabotropic glutamate receptor 6 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
HRH1_CAVPO P31389 CHEMBL3943 Histamine H1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH1_HUMAN P35367 CHEMBL231 Histamine H1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH3_HUMAN Q9Y5N1 CHEMBL264 Histamine H3 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH3_RAT Q9QYN8 CHEMBL4124 Histamine H3 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH4_HUMAN Q9H3N8 CHEMBL3759 Histamine H4 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KIT_HUMAN P10721 CHEMBL1936 Stem cell growth factor receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P97706_RAT P97706 CHEMBL4957 Sodium channel protein type VI alpha subunit 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
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
PGFRA_HUMAN P16234 CHEMBL2007 Platelet-derived growth factor receptor alpha 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
Q862F3_BOVIN Q862F3 CHEMBL4262 Tubulin alpha chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q862L2_BOVIN Q862L2 CHEMBL3752 Tubulin alpha-1 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q8CFM9_RAT Q8CFM9 CHEMBL3940 Adenylate cyclase type VII 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
SCN1A_HUMAN P35498 CHEMBL1845 Sodium channel protein type I alpha subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN2A_RAT P04775 CHEMBL3399 Sodium channel protein type II alpha subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN3A_HUMAN Q9NY46 CHEMBL5163 Sodium channel protein type III alpha subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN5A_RAT P15389 CHEMBL3866 Sodium channel protein type V alpha subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBB2B_BOVIN Q6B856 CHEMBL3394 Tubulin beta chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TPOR_HUMAN P40238 CHEMBL1864 Thrombopoietin receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPV1_RAT O35433 CHEMBL5102 Vanilloid receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100695 Z100695 CHEMBL612587 WRL68 (Embryonic hepatoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101666 Z101666 CHEMBL613904 Bacillus anthracis 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101973 Z101973 CHEMBL613240 Paracentrotus lividus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102178 Z102178 CHEMBL613694 Liver microsomes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102222 Z102222 CHEMBL613424 Plasma 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102333 Z102333 CHEMBL613633 Ileum 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102342 Z102342 CHEMBL613642 Liver 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102352 Z102352 CHEMBL613652 Plasma 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103176 Z103176 CHEMBL1075346 Entamoeba invadens 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103205 Z103205 CHEMBL1075390 A431 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104282 Z104282 CHEMBL1907588 Acetylcholine receptor; alpha1/beta1/delta/gamma 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104283 Z104283 CHEMBL1907589 Neuronal acetylcholine receptor; alpha4/beta2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104287 Z104287 CHEMBL1907593 Neuronal acetylcholine receptor; alpha3/beta4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104290 Z104290 CHEMBL1907596 Neuronal acetylcholine receptor; alpha4/beta2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104297 Z104297 CHEMBL1907603 Glutamate NMDA receptor; GRIN1/GRIN2B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104298 Z104298 CHEMBL1907604 Glutamate NMDA receptor; GRIN1/GRIN2A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104304 Z104304 CHEMBL1907610 Adrenergic receptor alpha-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50117 Z50117 CHEMBL348 Pseudomonas aeruginosa 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50185 Z50185 CHEMBL352 Staphylococcus aureus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50309 Z50309 CHEMBL360 Mycobacterium tuberculosis 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50347 Z50347 CHEMBL361 Saccharomyces cerevisiae 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50378 Z50378 CHEMBL612640 Mycobacterium intracellulare 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50417 Z50417 CHEMBL612848 Leishmania infantum 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50420 Z50420 CHEMBL612851 Trypanosoma brucei brucei 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50467 Z50467 CHEMBL612884 Trichomonas vaginalis 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50600 Z50600 CHEMBL613493 Vaccinia virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50602 Z50602 CHEMBL377 Human herpesvirus 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50617 Z50617 CHEMBL613554 Human coxsackievirus B3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50636 Z50636 CHEMBL613725 Sindbis virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50641 Z50641 CHEMBL613730 West Nile virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50643 Z50643 CHEMBL379 Hepatitis C virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50651 Z50651 CHEMBL613739 Vesicular stomatitis virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50677 Z50677 CHEMBL613758 Human immunodeficiency virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50678 Z50678 CHEMBL612679 Respiratory syncytial virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50725 Z50725 CHEMBL612348 Trypanosoma brucei rhodesiense 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80002 Z80002 CHEMBL614075 1A9 (Ovarian adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80026 Z80026 CHEMBL613860 AGS (Gastric adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80030 Z80030 CHEMBL614520 ANN-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80036 Z80036 CHEMBL614524 BaF3 (IL-3-dependent pro-B-cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80037 Z80037 CHEMBL614065 Balb/MK 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80054 Z80054 CHEMBL614058 Caco-2 (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80088 Z80088 CHEMBL613853 CHO (Ovarian cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80110 Z80110 CHEMBL613507 CV-1 (Kidney cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80121 Z80121 CHEMBL614286 DMS-79 (Small cell lung carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80125 Z80125 CHEMBL613508 DU-145 (Prostate carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80231 Z80231 CHEMBL614328 MCF7S (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80249 Z80249 CHEMBL614068 MDCK (Kidney cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80255 Z80255 CHEMBL613827 MES-SA/DxS (Uterine sarcoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80284 Z80284 CHEMBL614176 MOLT-3 (T-lymphoblastic leukemia cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80354 Z80354 CHEMBL614213 OVCAR-3 (Ovarian adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80387 Z80387 CHEMBL612556 PC-12 (Adrenal phaeochromacytoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80414 Z80414 CHEMBL614628 Raji (B-lymphoblastic cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80427 Z80427 CHEMBL614879 RKO (Colon carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80466 Z80466 CHEMBL614907 SF268 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80470 Z80470 CHEMBL614909 SGC-7901 (Gastric carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80475 Z80475 CHEMBL613834 SK-BR-3 (Breast adenocarcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80490 Z80490 CHEMBL614923 SK-MES-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80548 Z80548 CHEMBL614245 THP-1 (Acute monocytic leukemia cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80552 Z80552 CHEMBL615015 TLX-5 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80608 Z80608 CHEMBL614393 ZR-75-1 (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80653 Z80653 CHEMBL613105 9L (Glioma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80697 Z80697 CHEMBL614279 Bel-7402 (Hepatoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80819 Z80819 CHEMBL614484 J774.2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80847 Z80847 CHEMBL612250 FaDu (Pharyngeal carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80866 Z80866 CHEMBL612707 GLC4 cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80870 Z80870 CHEMBL614505 GM892A cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80936 Z80936 CHEMBL614818 HEK293 (Embryonic kidney fibroblasts) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80945 Z80945 CHEMBL614735 HEp-2 (Laryngeal carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81000 Z81000 CHEMBL614316 HT-22 (Hippocampal cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81011 Z81011 CHEMBL614840 human cell lines 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81024 Z81024 CHEMBL396 NCI-H460 (Non-small cell lung carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81233 Z81233 CHEMBL614117 M21 (Melanoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81244 Z81244 CHEMBL614123 J774 (Macrophage cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase