UCSF

Chemstep

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

Binding 10μM Targets with Highest Number of Available Compounds (265 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
NOS2_HUMAN P35228 CHEMBL4481 Nitric oxide synthase, inducible 45 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH2_HUMAN P00918 CHEMBL205 Carbonic anhydrase II 41 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B_RAT P19328 CHEMBL266 Alpha-2b adrenergic receptor 35 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A_RAT P22909 CHEMBL327 Alpha-2a adrenergic receptor 34 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C_RAT P22086 CHEMBL314 Alpha-2c adrenergic receptor 34 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS1_HUMAN P29475 CHEMBL3568 Nitric-oxide synthase, brain 33 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH1_HUMAN P00915 CHEMBL261 Carbonic anhydrase I 32 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS3_HUMAN P29474 CHEMBL4803 Nitric-oxide synthase, endothelial 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104290 Z104290 CHEMBL1907596 Neuronal acetylcholine receptor; alpha4/beta2 25 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH9_HUMAN Q16790 CHEMBL3594 Carbonic anhydrase IX 20 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA4_RAT P09483 CHEMBL307 Neuronal acetylcholine receptor protein alpha-4 subunit 19 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH12_HUMAN O43570 CHEMBL3242 Carbonic anhydrase XII 19 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACH10_RAT Q9JLB5 CHEMBL3461 Neuronal acetylcholine receptor protein alpha-10 subunit 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA3_RAT P04757 CHEMBL3818 Neuronal acetylcholine receptor protein alpha-3 subunit 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104303 Z104303 CHEMBL1907609 Muscarinic acetylcholine receptor 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB2_RAT P12390 CHEMBL3001 Neuronal acetylcholine receptor protein beta-2 subunit 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB4_RAT P12392 CHEMBL2658 Neuronal acetylcholine receptor protein beta-4 subunit 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA2_RAT P12389 CHEMBL2584 Neuronal acetylcholine receptor protein alpha-2 subunit 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA5_RAT P20420 CHEMBL4960 Neuronal acetylcholine receptor protein alpha-5 subunit 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA6_RAT P43143 CHEMBL4747 Neuronal acetylcholine receptor protein alpha-6 subunit 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA7_RAT Q05941 CHEMBL4980 Neuronal acetylcholine receptor protein alpha-7 subunit 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA9_RAT P43144 CHEMBL2585 Neuronal acetylcholine receptor protein alpha-9 subunit 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA_RAT P25108 CHEMBL3599 Acetylcholine receptor protein alpha chain 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB3_RAT P12391 CHEMBL4568 Neuronal acetylcholine receptor protein beta-3 subunit 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB_RAT P25109 CHEMBL2666 Acetylcholine receptor protein beta chain 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104304 Z104304 CHEMBL1907610 Adrenergic receptor alpha-1 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH14_HUMAN Q9ULX7 CHEMBL3510 Carbonic anhydrase XIV 13 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH7_HUMAN P43166 CHEMBL2326 Carbonic anhydrase VII 13 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS2_MOUSE P29477 CHEMBL3464 Nitric oxide synthase, inducible 13 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH4_HUMAN P22748 CHEMBL3729 Carbonic anhydrase IV 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5B_HUMAN Q9Y2D0 CHEMBL3969 Carbonic anhydrase VB 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH6_HUMAN P23280 CHEMBL3025 Carbonic anhydrase VI 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
CATK_HUMAN P43235 CHEMBL268 Cathepsin K 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH15_MOUSE Q99N23 CHEMBL5973 Carbonic anhydrase 15 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
CYNT_HELPY O24855 CHEMBL4211 Carbonic anhydrase 1 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
PARP1_MOUSE P11103 CHEMBL3740 Poly [ADP-ribose] polymerase-1 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1_RAT P08482 CHEMBL276 Muscarinic acetylcholine receptor M1 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
B5SU02_9CNID B5SU02 CHEMBL1075028 Alpha carbonic anhydrase 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
C0IX24_9CNID C0IX24 CHEMBL1649055 Carbonic anhydrase 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
CA2D1_HUMAN P54289 CHEMBL1919 Voltage-gated calcium channel alpha2/delta subunit 1 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
CA2D2_HUMAN Q9NY47 CHEMBL3896 Voltage-gated calcium channel alpha2/delta subunit 2 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH4_BOVIN Q95323 CHEMBL281 Carbonic anhydrase IV 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5A_HUMAN P35218 CHEMBL4789 Carbonic anhydrase VA 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q5AJ71_CANAL Q5AJ71 CHEMBL5337 Carbonic anhydrase 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A_HUMAN P08913 CHEMBL1867 Alpha-2a adrenergic receptor 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C_HUMAN P18825 CHEMBL1916 Alpha-2c adrenergic receptor 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
PARP1_HUMAN P09874 CHEMBL3105 Poly [ADP-ribose] polymerase-1 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
PARP2_MOUSE O88554 CHEMBL2794 Poly [ADP-ribose] polymerase-2 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104283 Z104283 CHEMBL1907589 Neuronal acetylcholine receptor; alpha4/beta2 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104302 Z104302 CHEMBL1907608 Glutamate NMDA receptor 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B_HUMAN P18089 CHEMBL1942 Alpha-2b adrenergic receptor 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS1_MOUSE Q9Z0J4 CHEMBL4719 Nitric-oxide synthase, brain 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q8CFB8_MOUSE Q8CFB8 CHEMBL3292 ADP-ribosyltransferase 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Y1284_MYCTU P64797 CHEMBL5631 Uncharacterized protein Rv1284/MT1322 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAN_YEAST P53615 CHEMBL5931 Carbonic anhydrase 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_RAT P12527 CHEMBL312 Arachidonate 5-lipoxygenase 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A_HUMAN P35348 CHEMBL229 Alpha-1a adrenergic receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH_METTE P40881 CHEMBL3932 Carbonic anhydrase 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1_RAT P18901 CHEMBL265 Dopamine D1 receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR_HUMAN P00533 CHEMBL203 Epidermal growth factor receptor erbB1 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM3_RAT P31422 CHEMBL3067 Metabotropic glutamate receptor 3 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH13_MOUSE Q9D6N1 CHEMBL2186 Carbonic anhydrase XIII 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM2_RAT P31421 CHEMBL2851 Metabotropic glutamate receptor 2 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
IMDH2_HUMAN P12268 CHEMBL2002 Inosine-5'-monophosphate dehydrogenase 2 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
PAPA1_CARPA P00784 CHEMBL4779 Papain 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104301 Z104301 CHEMBL1907607 GABA-A receptor; anion channel 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM2_RAT P10980 CHEMBL309 Muscarinic acetylcholine receptor M2 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM3_HUMAN P20309 CHEMBL245 Muscarinic acetylcholine receptor M3 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM3_RAT P08483 CHEMBL320 Muscarinic acetylcholine receptor M3 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM4_RAT P08485 CHEMBL317 Muscarinic acetylcholine receptor M4 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1B_HUMAN P35368 CHEMBL232 Alpha-1b adrenergic receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1D_HUMAN P25100 CHEMBL223 Alpha-1d adrenergic receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A_BOVIN Q28838 CHEMBL4744 Alpha-2a adrenergic receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1_RAT P18090 CHEMBL3252 Beta-1 adrenergic receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
AMPM_ECOLI P0AE18 CHEMBL3423 Methionine aminopeptidase 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CA2D3_HUMAN Q8IZS8 CHEMBL3763 Voltage-gated calcium channel alpha2/delta subunit 3 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CA2D4_HUMAN Q7Z3S7 CHEMBL5376 Voltage-gated calcium channel alpha2/delta-4 subunit 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
DCOR_RAT P09057 CHEMBL3511 Ornithine decarboxylase 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_RAT P61169 CHEMBL339 Dopamine D2 receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
LCK_HUMAN P06239 CHEMBL258 Tyrosine-protein kinase LCK 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
LT4R1_HUMAN Q15722 CHEMBL3911 Leukotriene B4 receptor 1 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
OXDA_HUMAN P14920 CHEMBL5485 D-amino-acid oxidase 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
P96878_MYCTU P96878 CHEMBL5767 PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
THAS_HUMAN P24557 CHEMBL1835 Thromboxane-A synthase 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_RAT P14842 CHEMBL322 Serotonin 2a (5-HT2a) receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHD_TORCA P02718 CHEMBL3916 Acetylcholine receptor protein delta chain 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A_BOVIN P18130 CHEMBL4892 Alpha-1a adrenergic receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CA2D1_MOUSE O08532 CHEMBL4676 Voltage-gated calcium channel alpha2/delta subunit 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH3_HUMAN P07451 CHEMBL2885 Carbonic anhydrase III 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5A_MOUSE P23589 CHEMBL2330 Carbonic anhydrase VA 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5B_MOUSE Q9QZA0 CHEMBL4634 Carbonic anhydrase VB 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CBPA1_BOVIN P00730 CHEMBL3481 Carboxypeptidase A1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_BOVIN P20288 CHEMBL3998 Dopamine D2 receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_HUMAN P14416 CHEMBL217 Dopamine D2 receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM2_HUMAN Q14416 CHEMBL5137 Metabotropic glutamate receptor 2 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM3_HUMAN Q14832 CHEMBL2888 Metabotropic glutamate receptor 3 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5_RAT P31424 CHEMBL2564 Metabotropic glutamate receptor 5 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GSK3B_HUMAN P49841 CHEMBL262 Glycogen synthase kinase-3 beta 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2_RAT Q80Z39 CHEMBL4731 HM74 nicotinic acid GPCR 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH3_HUMAN Q9Y5N1 CHEMBL264 Histamine H3 receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
KS6A5_HUMAN O75582 CHEMBL4237 Ribosomal protein S6 kinase alpha 5 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_HUMAN P09917 CHEMBL215 Arachidonate 5-lipoxygenase 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDZ1_RAT P35439 CHEMBL330 Glutamate (NMDA) receptor subunit zeta 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
TYRO_AGABI O42713 CHEMBL3318 Tyrosinase 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A_HUMAN P08908 CHEMBL214 Serotonin 1a (5-HT1a) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A_RAT P19327 CHEMBL273 Serotonin 1a (5-HT1a) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B_RAT P28564 CHEMBL3459 Serotonin 1b (5-HT1b) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D_RAT P28565 CHEMBL5450 Serotonin 1d (5-HT1d) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1F_RAT P30940 CHEMBL4646 Serotonin 1f (5-HT1f) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A_HUMAN P46098 CHEMBL1899 Serotonin 3a (5-HT3a) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3B_HUMAN O95264 CHEMBL3895 Serotonin 3b (5-HT3b) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3C_HUMAN Q8WXA8 CHEMBL4795 Serotonin 3c (5-HT3c) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3D_HUMAN Q70Z44 CHEMBL4673 Serotonin 3d (5-HT3d) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3E_HUMAN A5X5Y0 CHEMBL3812 Serotonin 3e (5-HT3e) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_HUMAN P29274 CHEMBL251 Adenosine A2a receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_HUMAN P22303 CHEMBL220 Acetylcholinesterase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA3_HUMAN P32297 CHEMBL3068 Neuronal acetylcholine receptor protein alpha-3 subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA_TORCA P02710 CHEMBL3097 Acetylcholine receptor protein alpha chain 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB2_HUMAN P17787 CHEMBL1883 Neuronal acetylcholine receptor protein beta-2 subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB_TORCA P02712 CHEMBL3803 Acetylcholine receptor protein beta chain 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHG_TORCA P02714 CHEMBL4019 Acetylcholine receptor protein gamma chain 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1_MOUSE P12657 CHEMBL3733 Muscarinic acetylcholine receptor M1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADH1A_HUMAN P07327 CHEMBL1970 Alcohol dehydrogenase alpha chain 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1_HUMAN P08588 CHEMBL213 Beta-1 adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_CANFA P54833 CHEMBL2289 Beta-2 adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFA_BOVIN P21398 CHEMBL3254 Monoamine oxidase A 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH13_HUMAN Q8N1Q1 CHEMBL3912 Carbonic anhydrase XIII 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
COMT_RAT P22734 CHEMBL2372 Catechol O-methyltransferase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CPXA_PSEPU P00183 CHEMBL5594 Cytochrome P450-cam 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CYNT_MYCTU O53573 CHEMBL6068 Carbonic anhydrase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DPP4_HUMAN P27487 CHEMBL284 Dipeptidyl peptidase IV 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DPYD_HUMAN Q12882 CHEMBL3172 Dihydropyrimidine dehydrogenase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1_HUMAN P21728 CHEMBL2056 Dopamine D1 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_RAT P19020 CHEMBL3138 Dopamine D3 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
FUCO_HUMAN P04066 CHEMBL4176 Alpha-L-fucosidase I 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GABT_RAT P50554 CHEMBL3148 Gamma-amino-N-butyrate transaminase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GLCM_HUMAN P04062 CHEMBL2179 Beta-glucocerebrosidase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIK3_RAT P42264 CHEMBL3744 Glutamate receptor ionotropic kainate 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2_HUMAN Q8TDS4 CHEMBL3785 Nicotinic acid receptor 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH3_RAT Q9QYN8 CHEMBL4124 Histamine H3 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MA1B1_HUMAN Q9UKM7 CHEMBL2308 Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MA2A1_HUMAN Q16706 CHEMBL4056 Alpha-mannosidase 2A1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MA2A2_HUMAN P49641 CHEMBL2825 Alpha-mannosidase 2A2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MA2B1_HUMAN O00754 CHEMBL4059 Lysosomal alpha-mannosidase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MA2B2_HUMAN Q9Y2E5 CHEMBL2682 Epididymis-specific alpha-mannosidase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
O77773_PIG O77773 CHEMBL3985 Voltage-dependent calcium channel alpha2delta subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PERM_HUMAN P05164 CHEMBL2439 Myeloperoxidase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_HUMAN P23219 CHEMBL221 Cyclooxygenase-1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q3I4V7_CRYNV Q3I4V7 CHEMBL1697676 Carbonic anhydrase 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ROCK1_HUMAN Q13464 CHEMBL3231 Rho-associated protein kinase 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1_RAT Q9R0C9 CHEMBL3602 Sigma opioid receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
XDH_BOVIN P80457 CHEMBL3649 Xanthine dehydrogenase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104287 Z104287 CHEMBL1907593 Neuronal acetylcholine receptor; alpha3/beta4 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B_RAT P30994 CHEMBL323 Serotonin 2b (5-HT2b) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_RAT P08909 CHEMBL324 Serotonin 2c (5-HT2c) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A_RAT P35563 CHEMBL2411 Serotonin 3a (5-HT3a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3B_RAT Q9JJ16 CHEMBL3458 Serotonin 3b (5-HT3b) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT5A_HUMAN P47898 CHEMBL3426 Serotonin 5a (5-HT5a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
A3EZI9_9HEPC A3EZI9 CHEMBL4893 Hepatitis C virus NS3 protease/helicase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R_BOVIN P28190 CHEMBL4975 Adenosine A1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_RAT P30543 CHEMBL302 Adenosine A2a receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ABP1_HUMAN P19801 CHEMBL2118 Diamine oxidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA2_HUMAN Q15822 CHEMBL1794 Neuronal acetylcholine receptor protein alpha-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA4_HUMAN P43681 CHEMBL1882 Neuronal acetylcholine receptor protein alpha-4 subunit 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
ACHB4_HUMAN P30926 CHEMBL3002 Neuronal acetylcholine receptor protein beta-4 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1_HUMAN P11229 CHEMBL216 Muscarinic acetylcholine receptor M1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM2_HUMAN P08172 CHEMBL211 Muscarinic acetylcholine receptor M2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM4_HUMAN P08173 CHEMBL1821 Muscarinic acetylcholine receptor M4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM5_HUMAN P08912 CHEMBL2035 Muscarinic acetylcholine receptor M5 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B_BOVIN O77700 CHEMBL3523 Alpha-2b adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADH1G_HUMAN P00326 CHEMBL3285 Alcohol dehydrogenase gamma chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALDR_RAT P07943 CHEMBL2622 Aldose reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AMPM1_YEAST Q01662 CHEMBL2526 Methionine aminopeptidase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFA_RAT P21396 CHEMBL3358 Monoamine oxidase A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFB_BOVIN P56560 CHEMBL2756 Monoamine oxidase B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AURKA_HUMAN O14965 CHEMBL4722 Serine/threonine-protein kinase Aurora-A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AURKB_HUMAN Q96GD4 CHEMBL2185 Serine/threonine-protein kinase Aurora-B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
BGAL_HUMAN P16278 CHEMBL2522 Beta-galactosidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH10_HUMAN Q9NS85 CHEMBL4645 Carbonic anhydrase-related protein 10 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH11_HUMAN O75493 CHEMBL2420 Carbonic anhydrase-related protein 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH2_BOVIN P00921 CHEMBL2283 Carbonic anhydrase II 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH8_HUMAN P35219 CHEMBL2410 Carbonic anhydrase-related protein 8 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CATL1_HUMAN P07711 CHEMBL3837 Cathepsin L 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCL2_HUMAN P13500 CHEMBL1649052 C-C motif chemokine 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNB_MARGL P15206 CHEMBL4260 G2/mitotic-specific cyclin B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK1_HUMAN P06493 CHEMBL308 Cyclin-dependent kinase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK2_HUMAN P24941 CHEMBL301 Cyclin-dependent kinase 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
COMT_HUMAN P21964 CHEMBL2023 Catechol O-methyltransferase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
D3ZUM4_RAT D3ZUM4 CHEMBL2680 Beta-galactosidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DHPR_RAT P11348 CHEMBL2910 Dihydropteridine reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_HUMAN P35462 CHEMBL234 Dopamine D3 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
DYR1A_HUMAN Q13627 CHEMBL2292 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR_MOUSE P00375 CHEMBL4564 Dihydrofolate reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR_MYCTU P0A546 CHEMBL6065 Dihydrofolate reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
E2AK2_HUMAN P19525 CHEMBL5785 Interferon-induced, double-stranded RNA-activated protein kinase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EAA2_HUMAN P43004 CHEMBL4973 Excitatory amino acid transporter 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EAA3_HUMAN P43005 CHEMBL2721 Excitatory amino acid transporter 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERBB2_HUMAN P04626 CHEMBL1824 Receptor protein-tyrosine kinase erbB-2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR2_HUMAN Q92731 CHEMBL242 Estrogen receptor beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EST1_HUMAN P23141 CHEMBL2265 Acyl coenzyme A:cholesterol acyltransferase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FUCO_BOVIN Q2KIM0 CHEMBL3545 Alpha-L-fucosidase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GANC_MOUSE Q8BVW0 CHEMBL3635 Neutral alpha-glucosidase C 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBA2_HUMAN Q9HCG7 CHEMBL3761 Beta-glucosidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA1_MOUSE P23818 CHEMBL3502 Glutamate receptor ionotropic, AMPA 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA2_RAT P19491 CHEMBL3503 Glutamate receptor ionotropic, AMPA 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA3_RAT P19492 CHEMBL3504 Glutamate receptor ionotropic, AMPA 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA4_RAT P19493 CHEMBL3505 Glutamate receptor ionotropic, AMPA 4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIK1_RAT P22756 CHEMBL2919 Glutamate receptor ionotropic kainate 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIK2_RAT P42260 CHEMBL3607 Glutamate receptor ionotropic kainate 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM1_HUMAN Q13255 CHEMBL3772 Metabotropic glutamate receptor 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM1_RAT P23385 CHEMBL4477 Metabotropic glutamate receptor 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM6_RAT P35349 CHEMBL3842 Metabotropic glutamate receptor 6 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM7_RAT P35400 CHEMBL3879 Metabotropic glutamate receptor 7 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM8_RAT P70579 CHEMBL2718 Metabotropic glutamate receptor 8 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GUAD_HUMAN Q9Y2T3 CHEMBL3129 Guanine deaminase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC1_HUMAN Q13547 CHEMBL325 Histone deacetylase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH2_HUMAN P25021 CHEMBL1941 Histamine H2 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
I23O1_HUMAN P14902 CHEMBL4685 Indoleamine 2,3-dioxygenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2_HUMAN Q12809 CHEMBL240 HERG 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCE_HUMAN Q02156 CHEMBL3582 Protein kinase C epsilon 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KS6B1_HUMAN P23443 CHEMBL4501 Ribosomal protein S6 kinase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LPH_RAT Q02401 CHEMBL3389 Lactase-glycosylceramidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MA2C1_RAT P21139 CHEMBL2852 Alpha-mannosidase 2C1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK01_HUMAN P28482 CHEMBL4040 MAP kinase ERK2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP1_HUMAN P03956 CHEMBL332 Matrix metalloproteinase-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP2_HUMAN P08253 CHEMBL333 Matrix metalloproteinase-2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MP2K1_HUMAN Q02750 CHEMBL3587 Dual specificity mitogen-activated protein kinase kinase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE3_RAT Q00961 CHEMBL401 Glutamate [NMDA] receptor subunit epsilon 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS1_RAT P29476 CHEMBL3048 Nitric-oxide synthase, brain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NQO2_HUMAN P16083 CHEMBL3959 Quinone reductase 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
OXDA_RAT O35078 CHEMBL5756 D-amino-acid oxidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PAOX_HUMAN Q6QHF9 CHEMBL2105 Polyamine oxidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PARP1_BOVIN P18493 CHEMBL5691 Poly [ADP-ribose] polymerase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE10_HUMAN Q9Y233 CHEMBL4409 Phosphodiesterase 10A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRB_MOUSE P05622 CHEMBL2749 Platelet-derived growth factor receptor beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_SHEEP P05979 CHEMBL2949 Cyclooxygenase-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2_HUMAN P35354 CHEMBL230 Cyclooxygenase-2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PKN2_HUMAN Q16513 CHEMBL3032 Protein kinase N2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PTR1_LEIMA Q01782 CHEMBL6194 Pteridine reductase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q2PCB5_DICLA Q2PCB5 CHEMBL1795125 Carbonic anhydrase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q7ZJM1_9HIV1 Q7ZJM1 CHEMBL3471 Human immunodeficiency virus type 1 integrase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q81VW8_BACAN Q81VW8 CHEMBL1075045 Dihydropteroate synthase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q8JXU8_9HEPC Q8JXU8 CHEMBL5375 Hepatitis C virus NS5B RNA-dependent RNA polymerase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RAF1_HUMAN P04049 CHEMBL1906 Serine/threonine-protein kinase RAF 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ROCK2_HUMAN O75116 CHEMBL2973 Rho-associated protein kinase 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ROCK2_RAT Q62868 CHEMBL5490 Rho-associated protein kinase 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SIRT1_HUMAN Q96EB6 CHEMBL4506 NAD-dependent deacetylase sirtuin 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SIRT2_HUMAN Q8IXJ6 CHEMBL4462 NAD-dependent deacetylase sirtuin 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SRC_HUMAN P12931 CHEMBL267 Tyrosine-protein kinase SRC 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SUIS_RAT P23739 CHEMBL3114 Sucrase-isomaltase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TGT_ZYMMO P28720 CHEMBL2987 tRNA-guanine transglycosylase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
THRB_BOVIN P00735 CHEMBL4471 Thrombin 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TNR16_HUMAN P08138 CHEMBL4762 Low affinity neurotrophin receptor p75NTR 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
TYRO_HUMAN P14679 CHEMBL1973 Tyrosinase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TYSY_LACCA P00469 CHEMBL5328 Thymidylate synthase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TYSY_MOUSE P07607 CHEMBL3160 Thymidylate synthase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
UROK_HUMAN P00749 CHEMBL3286 Urokinase-type plasminogen activator 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
XDH_HUMAN P47989 CHEMBL1929 Xanthine dehydrogenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
XDH_RAT P22985 CHEMBL1075246 Xanthine dehydrogenase/oxidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587 Z50587 CHEMBL372 Homo sapiens 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597 Z50597 CHEMBL376 Rattus norvegicus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase