UCSF

Novochemy Building Blocks

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

Binding 10μM Targets with Highest Number of Available Compounds (145 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
5HT1A_RAT P19327 CHEMBL273 Serotonin 1a (5-HT1a) receptor 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
A3EZI9_9HEPC A3EZI9 CHEMBL4893 Hepatitis C virus NS3 protease/helicase 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS1_HUMAN P29475 CHEMBL3568 Nitric-oxide synthase, brain 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS1_RAT P29476 CHEMBL3048 Nitric-oxide synthase, brain 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
PNMT_BOVIN P10938 CHEMBL2331 Phenylethanolamine N-methyltransferase 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACH10_RAT Q9JLB5 CHEMBL3461 Neuronal acetylcholine receptor protein alpha-10 subunit 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA3_RAT P04757 CHEMBL3818 Neuronal acetylcholine receptor protein alpha-3 subunit 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA4_RAT P09483 CHEMBL307 Neuronal acetylcholine receptor protein alpha-4 subunit 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A_RAT P22909 CHEMBL327 Alpha-2a adrenergic receptor 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B_RAT P19328 CHEMBL266 Alpha-2b adrenergic receptor 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C_RAT P22086 CHEMBL314 Alpha-2c adrenergic receptor 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B_RAT P28564 CHEMBL3459 Serotonin 1b (5-HT1b) receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D_RAT P28565 CHEMBL5450 Serotonin 1d (5-HT1d) receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1F_RAT P30940 CHEMBL4646 Serotonin 1f (5-HT1f) receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_RAT P14842 CHEMBL322 Serotonin 2a (5-HT2a) receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B_RAT P30994 CHEMBL323 Serotonin 2b (5-HT2b) receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_RAT P08909 CHEMBL324 Serotonin 2c (5-HT2c) receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS2_HUMAN P35228 CHEMBL4481 Nitric oxide synthase, inducible 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104290 Z104290 CHEMBL1907596 Neuronal acetylcholine receptor; alpha4/beta2 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A_HUMAN P46098 CHEMBL1899 Serotonin 3a (5-HT3a) receptor 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3B_HUMAN O95264 CHEMBL3895 Serotonin 3b (5-HT3b) receptor 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3C_HUMAN Q8WXA8 CHEMBL4795 Serotonin 3c (5-HT3c) receptor 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3D_HUMAN Q70Z44 CHEMBL4673 Serotonin 3d (5-HT3d) receptor 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3E_HUMAN A5X5Y0 CHEMBL3812 Serotonin 3e (5-HT3e) receptor 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT6R_HUMAN P50406 CHEMBL3371 Serotonin 6 (5-HT6) receptor 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS3_HUMAN P29474 CHEMBL4803 Nitric-oxide synthase, endothelial 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104301 Z104301 CHEMBL1907607 GABA-A receptor; anion channel 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1E_HUMAN P28566 CHEMBL2182 Serotonin 1e (5-HT1e) receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_HUMAN P28223 CHEMBL224 Serotonin 2a (5-HT2a) receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_HUMAN P28335 CHEMBL225 Serotonin 2c (5-HT2c) receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA2_RAT P12389 CHEMBL2584 Neuronal acetylcholine receptor protein alpha-2 subunit 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA5_RAT P20420 CHEMBL4960 Neuronal acetylcholine receptor protein alpha-5 subunit 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA6_RAT P43143 CHEMBL4747 Neuronal acetylcholine receptor protein alpha-6 subunit 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA7_RAT Q05941 CHEMBL4980 Neuronal acetylcholine receptor protein alpha-7 subunit 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA9_RAT P43144 CHEMBL2585 Neuronal acetylcholine receptor protein alpha-9 subunit 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA_RAT P25108 CHEMBL3599 Acetylcholine receptor protein alpha chain 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB2_RAT P12390 CHEMBL3001 Neuronal acetylcholine receptor protein beta-2 subunit 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB3_RAT P12391 CHEMBL4568 Neuronal acetylcholine receptor protein beta-3 subunit 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB4_RAT P12392 CHEMBL2658 Neuronal acetylcholine receptor protein beta-4 subunit 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB_RAT P25109 CHEMBL2666 Acetylcholine receptor protein beta chain 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
PNMT_HUMAN P11086 CHEMBL4617 Phenylethanolamine N-methyltransferase 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1_HUMAN Q99720 CHEMBL287 Sigma opioid receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A_HUMAN P08908 CHEMBL214 Serotonin 1a (5-HT1a) receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B_HUMAN P41595 CHEMBL1833 Serotonin 2b (5-HT2b) receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA7_HUMAN P36544 CHEMBL2492 Neuronal acetylcholine receptor protein alpha-7 subunit 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_RAT P61169 CHEMBL339 Dopamine D2 receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PARP1_HUMAN P09874 CHEMBL3105 Poly [ADP-ribose] polymerase-1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104302 Z104302 CHEMBL1907608 Glutamate NMDA receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104304 Z104304 CHEMBL1907610 Adrenergic receptor alpha-1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT7R_HUMAN P34969 CHEMBL3155 Serotonin 7 (5-HT7) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_MOUSE P21836 CHEMBL3198 Acetylcholinesterase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA4_MOUSE O70174 CHEMBL4457 Neuronal acetylcholine receptor protein alpha-4 subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA_TORCA P02710 CHEMBL3097 Acetylcholine receptor protein alpha chain 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB_TORCA P02712 CHEMBL3803 Acetylcholine receptor protein beta chain 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHD_TORCA P02718 CHEMBL3916 Acetylcholine receptor protein delta chain 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHG_TORCA P02714 CHEMBL4019 Acetylcholine receptor protein gamma chain 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1_HUMAN P08588 CHEMBL213 Beta-1 adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_HUMAN P14416 CHEMBL217 Dopamine D2 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_HUMAN P35462 CHEMBL234 Dopamine D3 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GABR1_RAT Q9Z0U4 CHEMBL2753 GABA-B receptor 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GABR2_RAT O88871 CHEMBL4686 GABA-B receptor 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2_HUMAN Q8TDS4 CHEMBL3785 Nicotinic acid receptor 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2_RAT Q80Z39 CHEMBL4731 HM74 nicotinic acid GPCR 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS2_MOUSE P29477 CHEMBL3464 Nitric oxide synthase, inducible 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS3_BOVIN P29473 CHEMBL4802 Nitric-oxide synthase, endothelial 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q8BGP7_MOUSE Q8BGP7 CHEMBL2235 Neuronal acetylcholine receptor protein beta-2 subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9WTR4_RAT Q9WTR4 CHEMBL304 Norepinephrine transporter 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
SC6A3_RAT P23977 CHEMBL338 Dopamine transporter 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104283 Z104283 CHEMBL1907589 Neuronal acetylcholine receptor; alpha4/beta2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D_PIG P79400 CHEMBL4105 Serotonin 1d (5-HT1d) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_BOVIN Q75Z89 CHEMBL3446 Serotonin 2a (5-HT2a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A_MOUSE P23979 CHEMBL4972 Serotonin 3a (5-HT3a) 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_MOUSE Q9JHJ5 CHEMBL3781 Serotonin 3b (5-HT3b) 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_MOUSE P30966 CHEMBL3597 Serotonin 5a (5-HT5a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
A4_HUMAN P05067 CHEMBL2487 Beta amyloid A4 protein 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ABL1_HUMAN P00519 CHEMBL1862 Tyrosine-protein kinase ABL 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACCN3_HUMAN Q9UHC3 CHEMBL5368 Amiloride-sensitive cation channel 3 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
ADA1A_BOVIN P18130 CHEMBL4892 Alpha-1a adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A_RAT P43140 CHEMBL319 Alpha-1a adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A_BOVIN Q28838 CHEMBL4744 Alpha-2a adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A_HUMAN P08913 CHEMBL1867 Alpha-2a adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFA_RAT P21396 CHEMBL3358 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_RAT P19643 CHEMBL2993 Monoamine oxidase B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CA2D1_MOUSE O08532 CHEMBL4676 Voltage-gated calcium channel alpha2/delta subunit 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH1_HUMAN P00915 CHEMBL261 Carbonic anhydrase I 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH2_BOVIN P00921 CHEMBL2283 Carbonic anhydrase II 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH2_HUMAN P00918 CHEMBL205 Carbonic anhydrase II 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH9_HUMAN Q16790 CHEMBL3594 Carbonic anhydrase IX 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DCLK3_HUMAN Q9C098 CHEMBL6123 Serine/threonine-protein kinase DCLK3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DPYD_HUMAN Q12882 CHEMBL3172 Dihydropyrimidine dehydrogenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR_MOUSE P00375 CHEMBL4564 Dihydrofolate reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EDNRA_HUMAN P25101 CHEMBL252 Endothelin receptor ET-A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EDNRB_HUMAN P24530 CHEMBL1785 Endothelin receptor ET-B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EST1_HUMAN P23141 CHEMBL2265 Acyl coenzyme A:cholesterol acyltransferase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1_HUMAN P14867 CHEMBL1962 GABA receptor alpha-1 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA2_HUMAN P47869 CHEMBL4956 GABA receptor alpha-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA3_HUMAN P34903 CHEMBL3026 GABA receptor alpha-3 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA5_HUMAN P31644 CHEMBL5112 GABA receptor alpha-5 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB3_HUMAN P28472 CHEMBL1847 GABA receptor beta-3 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG2_HUMAN P18507 CHEMBL1788 GABA receptor gamma-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GUAD_HUMAN Q9Y2T3 CHEMBL3129 Guanine deaminase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
IL8_HUMAN P10145 CHEMBL2157 Interleukin-8 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
JAK1_HUMAN P23458 CHEMBL2835 Tyrosine-protein kinase JAK1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
JAK2_HUMAN O60674 CHEMBL2971 Tyrosine-protein kinase JAK2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
JAK3_HUMAN P52333 CHEMBL2148 Tyrosine-protein kinase JAK3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
JAK3_MOUSE Q62137 CHEMBL5250 Tyrosine-protein kinase JAK3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCC1A_HUMAN Q14012 CHEMBL2493 CaM kinase I alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KS6A2_HUMAN Q15349 CHEMBL3906 Ribosomal protein S6 kinase alpha 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KS6A6_HUMAN Q9UK32 CHEMBL4924 Ribosomal protein S6 kinase alpha 6 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LCK_HUMAN P06239 CHEMBL258 Tyrosine-protein kinase LCK 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK11_HUMAN Q15759 CHEMBL3961 MAP kinase p38 beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK12_HUMAN P53778 CHEMBL4674 MAP kinase p38 gamma 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK13_HUMAN O15264 CHEMBL2939 MAP kinase p38 delta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK14_HUMAN Q16539 CHEMBL260 MAP kinase p38 alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NISCH_HUMAN Q9Y2I1 CHEMBL3923 Nischarin 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDZ1_RAT P35439 CHEMBL330 Glutamate (NMDA) receptor subunit zeta 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NUAK2_HUMAN Q9H093 CHEMBL5698 NUAK family SNF1-like kinase 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
OXDA_HUMAN P14920 CHEMBL5485 D-amino-acid oxidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PARP1_BOVIN P18493 CHEMBL5691 Poly [ADP-ribose] polymerase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PARP2_MOUSE O88554 CHEMBL2794 Poly [ADP-ribose] polymerase-2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PERM_HUMAN P05164 CHEMBL2439 Myeloperoxidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PKN1_HUMAN Q16512 CHEMBL3384 Protein kinase N1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PLD1_HUMAN Q13393 CHEMBL2536 Phospholipase D1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPBT_HUMAN P05186 CHEMBL5979 Alkaline phosphatase, tissue-nonspecific isozyme 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9BDP5_BOVIN Q9BDP5 CHEMBL3680 Inducible nitric oxide synthase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ROCK2_HUMAN O75116 CHEMBL2973 Rho-associated protein kinase 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_RAT P31652 CHEMBL313 Serotonin transporter 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1_RAT Q9R0C9 CHEMBL3602 Sigma opioid receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
STK3_HUMAN Q13188 CHEMBL4708 Serine/threonine-protein kinase MST2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TNK1_HUMAN Q13470 CHEMBL5334 Non-receptor tyrosine-protein kinase TNK1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TSPOA_HUMAN P30536 CHEMBL5742 Translocator protein 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TSPO_RAT P16257 CHEMBL4552 Peripheral-type benzodiazepine receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TYK2_HUMAN P29597 CHEMBL3553 Tyrosine-protein kinase TYK2 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
XDH_BOVIN P80457 CHEMBL3649 Xanthine dehydrogenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104281 Z104281 CHEMBL1907587 Neuronal acetylcholine receptor; alpha3/beta2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase