UCSF

Collaborative Drug Discovery

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

Binding 10μM Targets with Highest Number of Available Compounds (2455 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
VGFR2_HUMAN P35968 CHEMBL279 Vascular endothelial growth factor receptor 2 3280 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK14_HUMAN Q16539 CHEMBL260 MAP kinase p38 alpha 2684 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR_HUMAN P00533 CHEMBL203 Epidermal growth factor receptor erbB1 2440 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK2_HUMAN P24941 CHEMBL301 Cyclin-dependent kinase 2 2054 Annotations Catalogs SMILES SDF Mol2 Flexibase
SRC_HUMAN P12931 CHEMBL267 Tyrosine-protein kinase SRC 1928 Annotations Catalogs SMILES SDF Mol2 Flexibase
GSK3B_HUMAN P49841 CHEMBL262 Glycogen synthase kinase-3 beta 1299 Annotations Catalogs SMILES SDF Mol2 Flexibase
LCK_HUMAN P06239 CHEMBL258 Tyrosine-protein kinase LCK 1242 Annotations Catalogs SMILES SDF Mol2 Flexibase
CHK1_HUMAN O14757 CHEMBL4630 Serine/threonine-protein kinase Chk1 1225 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK1_HUMAN P06493 CHEMBL308 Cyclin-dependent kinase 1 1104 Annotations Catalogs SMILES SDF Mol2 Flexibase
AKT1_HUMAN P31749 CHEMBL4282 Serine/threonine-protein kinase AKT 924 Annotations Catalogs SMILES SDF Mol2 Flexibase
AURKA_HUMAN O14965 CHEMBL4722 Serine/threonine-protein kinase Aurora-A 912 Annotations Catalogs SMILES SDF Mol2 Flexibase
ABL1_HUMAN P00519 CHEMBL1862 Tyrosine-protein kinase ABL 885 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERBB2_HUMAN P04626 CHEMBL1824 Receptor protein-tyrosine kinase erbB-2 874 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRB_HUMAN P09619 CHEMBL1913 Platelet-derived growth factor receptor beta 784 Annotations Catalogs SMILES SDF Mol2 Flexibase
IGF1R_HUMAN P08069 CHEMBL1957 Insulin-like growth factor I receptor 706 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNE1_HUMAN P24864 CHEMBL3617 G1/S-specific cyclin E1 650 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNE2_HUMAN O96020 CHEMBL2884 G1/S-specific cyclin E2 649 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNA2_HUMAN P20248 CHEMBL2582 Cyclin A2 633 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK4_HUMAN P11802 CHEMBL331 Cyclin-dependent kinase 4 624 Annotations Catalogs SMILES SDF Mol2 Flexibase
ROCK2_HUMAN O75116 CHEMBL2973 Rho-associated protein kinase 2 624 Annotations Catalogs SMILES SDF Mol2 Flexibase
IKKB_HUMAN O14920 CHEMBL1991 Inhibitor of nuclear factor kappa B kinase beta subunit 623 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCA_HUMAN P17252 CHEMBL299 Protein kinase C alpha 595 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNA1_HUMAN P78396 CHEMBL3609 Cyclin A1 583 Annotations Catalogs SMILES SDF Mol2 Flexibase
TIE2_HUMAN Q02763 CHEMBL4128 Tyrosine-protein kinase TIE-2 577 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK08_HUMAN P45983 CHEMBL2276 c-Jun N-terminal kinase 1 572 Annotations Catalogs SMILES SDF Mol2 Flexibase
MET_HUMAN P08581 CHEMBL3717 Hepatocyte growth factor receptor 570 Annotations Catalogs SMILES SDF Mol2 Flexibase
FGFR1_HUMAN P11362 CHEMBL3650 Fibroblast growth factor receptor 1 556 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCD_HUMAN Q05655 CHEMBL2996 Protein kinase C delta 552 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR1_HUMAN P17948 CHEMBL1868 Vascular endothelial growth factor receptor 1 523 Annotations Catalogs SMILES SDF Mol2 Flexibase
MAPK2_HUMAN P49137 CHEMBL2208 MAP kinase-activated protein kinase 2 510 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104295 Z104295 CHEMBL1907601 Cyclin-dependent kinase 4/cyclin D1 507 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCT_HUMAN Q04759 CHEMBL3920 Protein kinase C theta 498 Annotations Catalogs SMILES SDF Mol2 Flexibase
KIT_HUMAN P10721 CHEMBL1936 Stem cell growth factor receptor 486 Annotations Catalogs SMILES SDF Mol2 Flexibase
AURKB_HUMAN Q96GD4 CHEMBL2185 Serine/threonine-protein kinase Aurora-B 478 Annotations Catalogs SMILES SDF Mol2 Flexibase
JAK2_HUMAN O60674 CHEMBL2971 Tyrosine-protein kinase JAK2 466 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK10_HUMAN P53779 CHEMBL2637 c-Jun N-terminal kinase 3 458 Annotations Catalogs SMILES SDF Mol2 Flexibase
ITK_HUMAN Q08881 CHEMBL2959 Tyrosine-protein kinase ITK/TSK 454 Annotations Catalogs SMILES SDF Mol2 Flexibase
MP2K1_HUMAN Q02750 CHEMBL3587 Dual specificity mitogen-activated protein kinase kinase 1 449 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104294 Z104294 CHEMBL1907600 Cyclin-dependent kinase 5/CDK5 activator 1 446 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCB_HUMAN P05771 CHEMBL3045 Protein kinase C beta 445 Annotations Catalogs SMILES SDF Mol2 Flexibase
CSF1R_HUMAN P07333 CHEMBL1844 Macrophage colony stimulating factor receptor 442 Annotations Catalogs SMILES SDF Mol2 Flexibase
FLT3_HUMAN P36888 CHEMBL1974 Tyrosine-protein kinase receptor FLT3 439 Annotations Catalogs SMILES SDF Mol2 Flexibase
JAK3_HUMAN P52333 CHEMBL2148 Tyrosine-protein kinase JAK3 435 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNB1_HUMAN P14635 CHEMBL2412 G2/mitotic-specific cyclin B1 417 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNB2_HUMAN O95067 CHEMBL3723 G2/mitotic-specific cyclin B2 416 Annotations Catalogs SMILES SDF Mol2 Flexibase
BRAF_HUMAN P15056 CHEMBL5145 Serine/threonine-protein kinase B-raf 409 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRA_HUMAN P16234 CHEMBL2007 Platelet-derived growth factor receptor alpha 404 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK11_HUMAN Q15759 CHEMBL3961 MAP kinase p38 beta 393 Annotations Catalogs SMILES SDF Mol2 Flexibase
ROCK1_HUMAN Q13464 CHEMBL3231 Rho-associated protein kinase 1 369 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCE_HUMAN Q02156 CHEMBL3582 Protein kinase C epsilon 349 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNB3_HUMAN Q8WWL7 CHEMBL3606 G2/mitotic-specific cyclin B3 348 Annotations Catalogs SMILES SDF Mol2 Flexibase
GSK3A_HUMAN P49840 CHEMBL2850 Glycogen synthase kinase-3 alpha 343 Annotations Catalogs SMILES SDF Mol2 Flexibase
TGFR1_HUMAN P36897 CHEMBL4439 TGF-beta receptor type I 340 Annotations Catalogs SMILES SDF Mol2 Flexibase
AKT2_HUMAN P31751 CHEMBL2431 Serine/threonine-protein kinase AKT2 336 Annotations Catalogs SMILES SDF Mol2 Flexibase
EPHB4_HUMAN P54760 CHEMBL5147 Ephrin type-B receptor 4 330 Annotations Catalogs SMILES SDF Mol2 Flexibase
RAF1_HUMAN P04049 CHEMBL1906 Serine/threonine-protein kinase RAF 321 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRB_MOUSE P05622 CHEMBL2749 Platelet-derived growth factor receptor beta 318 Annotations Catalogs SMILES SDF Mol2 Flexibase
PLK1_HUMAN P53350 CHEMBL3024 Serine/threonine-protein kinase PLK1 315 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCG_HUMAN P05129 CHEMBL2938 Protein kinase C gamma 302 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q8MMZ8_EIMTE Q8MMZ8 CHEMBL5036 cGMP-dependent protein kinase 296 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK12_HUMAN P53778 CHEMBL4674 MAP kinase p38 gamma 284 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCL_HUMAN P24723 CHEMBL3616 Protein kinase C eta 277 Annotations Catalogs SMILES SDF Mol2 Flexibase
PIM1_HUMAN P11309 CHEMBL2147 Serine/threonine-protein kinase PIM1 276 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK13_HUMAN O15264 CHEMBL2939 MAP kinase p38 delta 272 Annotations Catalogs SMILES SDF Mol2 Flexibase
WEE1_HUMAN P30291 CHEMBL5491 Serine/threonine-protein kinase WEE1 270 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCK_HUMAN P08631 CHEMBL3234 Tyrosine-protein kinase HCK 266 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK09_HUMAN P45984 CHEMBL4179 c-Jun N-terminal kinase 2 260 Annotations Catalogs SMILES SDF Mol2 Flexibase
PK3CA_HUMAN P42336 CHEMBL4005 PI3-kinase p110-alpha subunit 256 Annotations Catalogs SMILES SDF Mol2 Flexibase
INSR_HUMAN P06213 CHEMBL1981 Insulin receptor 244 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2_HUMAN Q12809 CHEMBL240 HERG 233 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCG_RAT P63319 CHEMBL3604 Protein kinase C gamma 232 Annotations Catalogs SMILES SDF Mol2 Flexibase
KAPCA_HUMAN P17612 CHEMBL4101 cAMP-dependent protein kinase alpha-catalytic subunit 228 Annotations Catalogs SMILES SDF Mol2 Flexibase
KSYK_HUMAN P43405 CHEMBL2599 Tyrosine-protein kinase SYK 227 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDC7_HUMAN O00311 CHEMBL5443 Cell division cycle 7-related protein kinase 222 Annotations Catalogs SMILES SDF Mol2 Flexibase
PK3CD_HUMAN O00329 CHEMBL3130 PI3-kinase p110-delta subunit 221 Annotations Catalogs SMILES SDF Mol2 Flexibase
PRKDC_HUMAN P78527 CHEMBL3142 DNA-dependent protein kinase 218 Annotations Catalogs SMILES SDF Mol2 Flexibase
CHK2_HUMAN O96017 CHEMBL2527 Serine/threonine-protein kinase Chk2 217 Annotations Catalogs SMILES SDF Mol2 Flexibase
PK3CG_HUMAN P48736 CHEMBL3267 PI3-kinase p110-gamma subunit 217 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK14_MOUSE P47811 CHEMBL2336 MAP kinase p38 alpha 216 Annotations Catalogs SMILES SDF Mol2 Flexibase
LYN_HUMAN P07948 CHEMBL3905 Tyrosine-protein kinase Lyn 215 Annotations Catalogs SMILES SDF Mol2 Flexibase
IKKA_HUMAN O15111 CHEMBL3476 Inhibitor of nuclear factor kappa B kinase alpha subunit 207 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTOR_HUMAN P42345 CHEMBL2842 FK506 binding protein 12 205 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_RAT P61169 CHEMBL339 Dopamine D2 receptor 201 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A_RAT P19327 CHEMBL273 Serotonin 1a (5-HT1a) receptor 197 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCND2_HUMAN P30279 CHEMBL3613 G1/S-specific cyclin D2 190 Annotations Catalogs SMILES SDF Mol2 Flexibase
SRC_CHICK P00523 CHEMBL3655 Tyrosine-protein kinase SRC 189 Annotations Catalogs SMILES SDF Mol2 Flexibase
KAPCB_HUMAN P22694 CHEMBL2918 cAMP-dependent protein kinase beta-1 catalytic subunit 188 Annotations Catalogs SMILES SDF Mol2 Flexibase
KAPCG_HUMAN P22612 CHEMBL2743 cAMP-dependent protein kinase, gamma catalytic subunit 185 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR3_HUMAN P35916 CHEMBL1955 Vascular endothelial growth factor receptor 3 184 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR2_MOUSE P35918 CHEMBL3337 Vascular endothelial growth factor receptor 2 182 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104304 Z104304 CHEMBL1907610 Adrenergic receptor alpha-1 174 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCA_RAT P05696 CHEMBL2855 Protein kinase C alpha 173 Annotations Catalogs SMILES SDF Mol2 Flexibase
NTRK1_HUMAN P04629 CHEMBL2815 Nerve growth factor receptor Trk-A 173 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCB_RAT P68403 CHEMBL3020 Protein kinase C beta 170 Annotations Catalogs SMILES SDF Mol2 Flexibase
PK3CB_HUMAN P42338 CHEMBL3145 PI3-kinase p110-beta subunit 167 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH2_HUMAN P00918 CHEMBL205 Carbonic anhydrase II 166 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCND1_HUMAN P24385 CHEMBL3610 G1/S-specific cyclin D1 163 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCND3_HUMAN P30281 CHEMBL2422 G1/S-specific cyclin D3 163 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCZ_HUMAN Q05513 CHEMBL3438 Protein kinase C zeta 162 Annotations Catalogs SMILES SDF Mol2 Flexibase
FAK1_HUMAN Q05397 CHEMBL2695 Focal adhesion kinase 1 158 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_RAT P14842 CHEMBL322 Serotonin 2a (5-HT2a) receptor 153 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCE_RAT P09216 CHEMBL3424 Protein kinase C epsilon 148 Annotations Catalogs SMILES SDF Mol2 Flexibase
AKT3_HUMAN Q9Y243 CHEMBL4816 Serine/threonine-protein kinase AKT3 147 Annotations Catalogs SMILES SDF Mol2 Flexibase
PIM2_HUMAN Q9P1W9 CHEMBL4523 Serine/threonine-protein kinase PIM2 144 Annotations Catalogs SMILES SDF Mol2 Flexibase
M3K8_HUMAN P41279 CHEMBL4899 Mitogen-activated protein kinase kinase kinase 8 143 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCD_RAT P09215 CHEMBL3633 Protein kinase C delta 142 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCL_RAT Q64617 CHEMBL3990 Protein kinase C eta 142 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCT_RAT Q9WTQ0 CHEMBL4563 Protein kinase C theta 142 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCD1_HUMAN Q15139 CHEMBL3863 Protein kinase C mu 138 Annotations Catalogs SMILES SDF Mol2 Flexibase
KAPCA_BOVIN P00517 CHEMBL2654 cAMP-dependent protein kinase alpha-catalytic subunit 137 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALK_HUMAN Q9UM73 CHEMBL4247 ALK tyrosine kinase receptor 131 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCD3_HUMAN O94806 CHEMBL2595 Protein kinase C nu 131 Annotations Catalogs SMILES SDF Mol2 Flexibase
RET_HUMAN P07949 CHEMBL2041 Tyrosine-protein kinase receptor RET 131 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_RAT P08909 CHEMBL324 Serotonin 2c (5-HT2c) receptor 130 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH1_HUMAN P00915 CHEMBL261 Carbonic anhydrase I 130 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCZ_RAT P09217 CHEMBL5379 Protein kinase C zeta 129 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDPK1_HUMAN O15530 CHEMBL2534 3-phosphoinositide dependent protein kinase-1 129 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A_RAT P22909 CHEMBL327 Alpha-2a adrenergic receptor 128 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK01_HUMAN P28482 CHEMBL4040 MAP kinase ERK2 127 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B_RAT P19328 CHEMBL266 Alpha-2b adrenergic receptor 125 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_HUMAN P14416 CHEMBL217 Dopamine D2 receptor 124 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK5_HUMAN Q00535 CHEMBL4036 Cyclin-dependent kinase 5 123 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCC2D_HUMAN Q13557 CHEMBL2801 CaM kinase II delta 122 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C_RAT P22086 CHEMBL314 Alpha-2c adrenergic receptor 120 Annotations Catalogs SMILES SDF Mol2 Flexibase
KPCI_HUMAN P41743 CHEMBL2598 Protein kinase C iota 120 Annotations Catalogs SMILES SDF Mol2 Flexibase
ZAP70_HUMAN P43403 CHEMBL2803 Tyrosine-protein kinase ZAP-70 120 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B_RAT P30994 CHEMBL323 Serotonin 2b (5-HT2b) receptor 119 Annotations Catalogs SMILES SDF Mol2 Flexibase
INHA_MYCTU P0A5Y6 CHEMBL1849 Enoyl-[acyl-carrier-protein] reductase 114 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1_HUMAN Q99720 CHEMBL287 Sigma opioid receptor 114 Annotations Catalogs SMILES SDF Mol2 Flexibase
IRAK4_HUMAN Q9NWZ3 CHEMBL3778 Interleukin-1 receptor-associated kinase 4 113 Annotations Catalogs SMILES SDF Mol2 Flexibase
CSK21_HUMAN P68400 CHEMBL3629 Casein kinase II alpha 112 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104301 Z104301 CHEMBL1907607 GABA-A receptor; anion channel 110 Annotations Catalogs SMILES SDF Mol2 Flexibase
FGFR2_HUMAN P21802 CHEMBL4142 Fibroblast growth factor receptor 2 108 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R_RAT P25099 CHEMBL318 Adenosine A1 receptor 106 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1_RAT P18901 CHEMBL265 Dopamine D1 receptor 106 Annotations Catalogs SMILES SDF Mol2 Flexibase
ABL2_HUMAN P42684 CHEMBL4014 Tyrosine-protein kinase ABL2 105 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP19A_HUMAN P11511 CHEMBL1978 Cytochrome P450 19A1 101 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA3R_HUMAN P33765 CHEMBL256 Adenosine A3 receptor 99 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRA_MOUSE P26618 CHEMBL3466 Platelet-derived growth factor receptor alpha 99 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH9_HUMAN Q16790 CHEMBL3594 Carbonic anhydrase IX 98 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK9_HUMAN P50750 CHEMBL3116 Cyclin-dependent kinase 9 98 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_HUMAN P35462 CHEMBL234 Dopamine D3 receptor 98 Annotations Catalogs SMILES SDF Mol2 Flexibase
HYES_HUMAN P34913 CHEMBL2409 Epoxide hydratase 95 Annotations Catalogs SMILES SDF Mol2 Flexibase
KS6B1_HUMAN P23443 CHEMBL4501 Ribosomal protein S6 kinase 1 95 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B_RAT P28564 CHEMBL3459 Serotonin 1b (5-HT1b) receptor 94 Annotations Catalogs SMILES SDF Mol2 Flexibase
KS6A5_HUMAN O75582 CHEMBL4237 Ribosomal protein S6 kinase alpha 5 94 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH12_HUMAN O43570 CHEMBL3242 Carbonic anhydrase XII 93 Annotations Catalogs SMILES SDF Mol2 Flexibase
BCR_HUMAN P11274 CHEMBL5146 Breakpoint cluster region protein 92 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFB_HUMAN P27338 CHEMBL2039 Monoamine oxidase B 91 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104296 Z104296 CHEMBL1907602 Cyclin-dependent kinase 1/cyclin B1 90 Annotations Catalogs SMILES SDF Mol2 Flexibase
CLK4_HUMAN Q9HAZ1 CHEMBL4203 Dual specificity protein kinase CLK4 89 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3_RAT P23977 CHEMBL338 Dopamine transporter 88 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A_HUMAN P08908 CHEMBL214 Serotonin 1a (5-HT1a) receptor 87 Annotations Catalogs SMILES SDF Mol2 Flexibase
LCK_MOUSE P06240 CHEMBL2480 Tyrosine-protein kinase LCK 84 Annotations Catalogs SMILES SDF Mol2 Flexibase
TOP1_HUMAN P11387 CHEMBL1781 DNA topoisomerase I 84 Annotations Catalogs SMILES SDF Mol2 Flexibase
PI4KB_HUMAN Q9UBF8 CHEMBL3268 PI4-kinase beta subunit 83 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_RAT P19020 CHEMBL3138 Dopamine D3 receptor 82 Annotations Catalogs SMILES SDF Mol2 Flexibase
JAK1_HUMAN P23458 CHEMBL2835 Tyrosine-protein kinase JAK1 82 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRM_RAT P33535 CHEMBL270 Mu opioid receptor 82 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104299 Z104299 CHEMBL1907605 Cyclin-dependent kinase 2/cyclin E1 82 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2_HUMAN P35354 CHEMBL230 Cyclooxygenase-2 81 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_HUMAN P28223 CHEMBL224 Serotonin 2a (5-HT2a) receptor 80 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_HUMAN P28335 CHEMBL225 Serotonin 2c (5-HT2c) receptor 80 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4_HUMAN P21917 CHEMBL219 Dopamine D4 receptor 79 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN2A_HUMAN Q99250 CHEMBL4187 Sodium channel protein type II alpha subunit 79 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_HUMAN P29274 CHEMBL251 Adenosine A2a receptor 78 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_RAT P30543 CHEMBL302 Adenosine A2a receptor 77 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR_HUMAN P00374 CHEMBL202 Dihydrofolate reductase 77 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN1A_HUMAN P35498 CHEMBL1845 Sodium channel protein type I alpha subunit 76 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN3A_HUMAN Q9NY46 CHEMBL5163 Sodium channel protein type III alpha subunit 76 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN8A_HUMAN Q9UQD0 CHEMBL5202 Sodium channel protein type VIII alpha subunit 76 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_HUMAN P23219 CHEMBL221 Cyclooxygenase-1 75 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_RAT P31652 CHEMBL313 Serotonin transporter 75 Annotations Catalogs SMILES SDF Mol2 Flexibase
KAPCB_BOVIN P05131 CHEMBL3279 cAMP-dependent protein kinase beta-1 catalytic subunit 74 Annotations Catalogs SMILES SDF Mol2 Flexibase
F16P1_HUMAN P09467 CHEMBL3975 Fructose-1,6-bisphosphatase 73 Annotations Catalogs SMILES SDF Mol2 Flexibase
FGFR3_HUMAN P22607 CHEMBL2742 Fibroblast growth factor receptor 3 73 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1_RAT Q9R0C9 CHEMBL3602 Sigma opioid receptor 73 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104302 Z104302 CHEMBL1907608 Glutamate NMDA receptor 73 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A_HUMAN P08913 CHEMBL1867 Alpha-2a adrenergic receptor 72 Annotations Catalogs SMILES SDF Mol2 Flexibase
GLR_HUMAN P47871 CHEMBL1985 Glucagon receptor 72 Annotations Catalogs SMILES SDF Mol2 Flexibase
PLK3_HUMAN Q9H4B4 CHEMBL4897 Serine/threonine-protein kinase PLK3 71 Annotations Catalogs SMILES SDF Mol2 Flexibase
HYES_MOUSE P34914 CHEMBL4140 Epoxide hydratase 70 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_HUMAN P31645 CHEMBL228 Serotonin transporter 70 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_HUMAN P22303 CHEMBL220 Acetylcholinesterase 69 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR1_RAT P20272 CHEMBL3571 Cannabinoid CB1 receptor 69 Annotations Catalogs SMILES SDF Mol2 Flexibase
FYN_HUMAN P06241 CHEMBL1841 Tyrosine-protein kinase FYN 69 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRK_HUMAN P41145 CHEMBL237 Kappa opioid receptor 69 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A_HUMAN P35348 CHEMBL229 Alpha-1a adrenergic receptor 68 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1B_HUMAN P35368 CHEMBL232 Alpha-1b adrenergic receptor 68 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALDR_RAT P07943 CHEMBL2622 Aldose reductase 68 Annotations Catalogs SMILES SDF Mol2 Flexibase
CSK_MOUSE P41241 CHEMBL2333 Tyrosine-protein kinase CSK 68 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D_RAT P28565 CHEMBL5450 Serotonin 1d (5-HT1d) receptor 67 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5A_HUMAN P35218 CHEMBL4789 Carbonic anhydrase VA 67 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH7_HUMAN P43166 CHEMBL2326 Carbonic anhydrase VII 67 Annotations Catalogs SMILES SDF Mol2 Flexibase
KS6A1_HUMAN Q15418 CHEMBL2553 Ribosomal protein S6 kinase alpha 1 67 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1F_RAT P30940 CHEMBL4646 Serotonin 1f (5-HT1f) receptor 65 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C_HUMAN P18825 CHEMBL1916 Alpha-2c adrenergic receptor 65 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH6_HUMAN P23280 CHEMBL3025 Carbonic anhydrase VI 65 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP2_HUMAN P08253 CHEMBL333 Matrix metalloproteinase-2 65 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A2_HUMAN P23975 CHEMBL222 Norepinephrine transporter 65 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACK1_HUMAN Q07912 CHEMBL4599 Tyrosine kinase non-receptor protein 2 64 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1D_HUMAN P25100 CHEMBL223 Alpha-1d adrenergic receptor 64 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR1A_HUMAN Q13627 CHEMBL2292 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 64 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3_HUMAN Q01959 CHEMBL238 Dopamine transporter 64 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACE_HUMAN P12821 CHEMBL1808 Angiotensin-converting enzyme 63 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH4_HUMAN P22748 CHEMBL3729 Carbonic anhydrase IV 63 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH5B_HUMAN Q9Y2D0 CHEMBL3969 Carbonic anhydrase VB 63 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4_RAT P30729 CHEMBL3361 Dopamine D4 receptor 63 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRM_HUMAN P35372 CHEMBL233 Mu opioid receptor 62 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q7ZJM1_9HIV1 Q7ZJM1 CHEMBL3471 Human immunodeficiency virus type 1 integrase 62 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9WTR4_RAT Q9WTR4 CHEMBL304 Norepinephrine transporter 62 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A_HUMAN P46098 CHEMBL1899 Serotonin 3a (5-HT3a) receptor 61 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT6R_HUMAN P50406 CHEMBL3371 Serotonin 6 (5-HT6) receptor 61 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK7_HUMAN P50613 CHEMBL3055 Cyclin-dependent kinase 7 61 Annotations Catalogs SMILES SDF Mol2 Flexibase
CLK1_HUMAN P49759 CHEMBL4224 Dual specificty protein kinase CLK1 61 Annotations Catalogs SMILES SDF Mol2 Flexibase
F16P2_HUMAN O00757 CHEMBL3877 Fructose-1,6-bisphosphatase 2 61 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD5_RAT P25115 CHEMBL2281 Dopamine D5 receptor 60 Annotations Catalogs SMILES SDF Mol2 Flexibase
EAA1_HUMAN P43003 CHEMBL3085 Excitatory amino acid transporter 1 60 Annotations Catalogs SMILES SDF Mol2 Flexibase
TYK2_HUMAN P29597 CHEMBL3553 Tyrosine-protein kinase TYK2 60 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1_HUMAN P21728 CHEMBL2056 Dopamine D1 receptor 59 Annotations Catalogs SMILES SDF Mol2 Flexibase
FGFR4_HUMAN P22455 CHEMBL3973 Fibroblast growth factor receptor 4 59 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRD_RAT P33533 CHEMBL269 Delta opioid receptor 58 Annotations Catalogs SMILES SDF Mol2 Flexibase
YES_HUMAN P07947 CHEMBL2073 Tyrosine-protein kinase YES 58 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A_RAT P43140 CHEMBL319 Alpha-1a adrenergic receptor 56 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B_HUMAN P18089 CHEMBL1942 Alpha-2b adrenergic receptor 56 Annotations Catalogs SMILES SDF Mol2 Flexibase
FAK2_HUMAN Q14289 CHEMBL5469 Protein tyrosine kinase 2 beta 56 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA10_HUMAN O14672 CHEMBL5028 ADAM10 55 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH14_HUMAN Q9ULX7 CHEMBL3510 Carbonic anhydrase XIV 55 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK14_RAT P70618 CHEMBL4825 MAP kinase p38 alpha 55 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR1_MOUSE P35969 CHEMBL3516 Vascular endothelial growth factor receptor 1 55 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_HUMAN P07550 CHEMBL210 Beta-2 adrenergic receptor 54 Annotations Catalogs SMILES SDF Mol2 Flexibase
CLK2_HUMAN P49760 CHEMBL4225 Dual specificity protein kinase CLK2 54 Annotations Catalogs SMILES SDF Mol2 Flexibase
CSK22_HUMAN P19784 CHEMBL4070 Casein kinase II alpha (prime) 54 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCC2A_HUMAN Q9UQM7 CHEMBL4147 CaM kinase II alpha 53 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRD_HUMAN P41143 CHEMBL236 Delta opioid receptor 53 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE4B_HUMAN Q07343 CHEMBL275 Phosphodiesterase 4B 53 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1_HUMAN P14867 CHEMBL1962 GABA receptor alpha-1 subunit 52 Annotations Catalogs SMILES SDF Mol2 Flexibase
KC1D_HUMAN P48730 CHEMBL2828 Casein kinase I delta 52 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCC2B_HUMAN Q13554 CHEMBL4121 CaM kinase II beta 52 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE4D_HUMAN Q08499 CHEMBL288 Phosphodiesterase 4D 52 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597 Z50597 CHEMBL376 Rattus norvegicus 52 Annotations Catalogs SMILES SDF Mol2 Flexibase
CSK2B_HUMAN P67870 CHEMBL2358 Casein kinase II beta 51 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH1_HUMAN P35367 CHEMBL231 Histamine H1 receptor 51 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK10_RAT P49187 CHEMBL4092 c-Jun N-terminal kinase 3 51 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFA_HUMAN P21397 CHEMBL1951 Monoamine oxidase A 50 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH15_MOUSE Q99N23 CHEMBL5973 Carbonic anhydrase 15 50 Annotations Catalogs SMILES SDF Mol2 Flexibase
LIMK2_HUMAN P53671 CHEMBL5932 LIM domain kinase 2 50 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1_HUMAN P11229 CHEMBL216 Muscarinic acetylcholine receptor M1 49 Annotations Catalogs SMILES SDF Mol2 Flexibase
CHLE_HUMAN P06276 CHEMBL1914 Butyrylcholinesterase 49 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA2_HUMAN P47869 CHEMBL4956 GABA receptor alpha-2 subunit 49 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA3_HUMAN P34903 CHEMBL3026 GABA receptor alpha-3 subunit 49 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK11_MOUSE Q9WUI1 CHEMBL4335 MAP kinase p38 beta 49 Annotations Catalogs SMILES SDF Mol2 Flexibase
MKNK1_HUMAN Q9BUB5 CHEMBL4718 MAP kinase-interacting serine/threonine-protein kinase MNK1 49 Annotations Catalogs SMILES SDF Mol2 Flexibase
MYLK_HUMAN Q15746 CHEMBL2428 Myosin light chain kinase, smooth muscle 49 Annotations Catalogs SMILES SDF Mol2 Flexibase
KIF11_HUMAN P52732 CHEMBL4581 Kinesin-like protein 1 48 Annotations Catalogs SMILES SDF Mol2 Flexibase
NEK2_HUMAN P51955 CHEMBL3835 Serine/threonine-protein kinase NEK2 48 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR1B_HUMAN Q9Y463 CHEMBL5543 Dual specificity tyrosine-phosphorylation-regulated kinase 1B 47 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_RAT P12527 CHEMBL312 Arachidonate 5-lipoxygenase 47 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRA_RAT P20786 CHEMBL2513 Platelet-derived growth factor receptor alpha 47 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R_HUMAN P30542 CHEMBL226 Adenosine A1 receptor 46 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR_HUMAN P10275 CHEMBL1871 Androgen Receptor 46 Annotations Catalogs SMILES SDF Mol2 Flexibase
JUN_HUMAN P05412 CHEMBL4977 Proto-oncogene c-JUN 46 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRK_RAT P34975 CHEMBL3614 Kappa opioid receptor 46 Annotations Catalogs SMILES SDF Mol2 Flexibase
PHKG1_HUMAN Q16816 CHEMBL4004 Phosphorylase kinase gamma subunit 1 46 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT7R_HUMAN P34969 CHEMBL3155 Serotonin 7 (5-HT7) receptor 45 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1_RAT P08482 CHEMBL276 Muscarinic acetylcholine receptor M1 45 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1_HUMAN P08588 CHEMBL213 Beta-1 adrenergic receptor 45 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFA_RAT P21396 CHEMBL3358 Monoamine oxidase A 45 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK1_MOUSE P11440 CHEMBL4084 Cyclin-dependent kinase 1 45 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR1_HUMAN P21554 CHEMBL218 Cannabinoid CB1 receptor 45 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA5_HUMAN P31644 CHEMBL5112 GABA receptor alpha-5 subunit 45 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCC2G_HUMAN Q13555 CHEMBL3829 CaM kinase II gamma 45 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK03_HUMAN P27361 CHEMBL3385 MAP kinase ERK1 45 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH3_HUMAN P07451 CHEMBL2885 Carbonic anhydrase III 44 Annotations Catalogs SMILES SDF Mol2 Flexibase
CYSP_TRYCR P25779 CHEMBL3563 Cruzipain 44 Annotations Catalogs SMILES SDF Mol2 Flexibase
PHKG2_HUMAN P15735 CHEMBL2349 Phosphorylase kinase gamma subunit 2 44 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B_HUMAN P41595 CHEMBL1833 Serotonin 2b (5-HT2b) receptor 43 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM2_HUMAN P08172 CHEMBL211 Muscarinic acetylcholine receptor M2 42 Annotations Catalogs SMILES SDF Mol2 Flexibase
BACE1_HUMAN P56817 CHEMBL4822 Beta-secretase 1 42 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR1_HUMAN P03372 CHEMBL206 Estrogen receptor alpha 42 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE4A_HUMAN P27815 CHEMBL254 Phosphodiesterase 4A 42 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM2_RAT P10980 CHEMBL309 Muscarinic acetylcholine receptor M2 41 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM3_HUMAN P20309 CHEMBL245 Muscarinic acetylcholine receptor M3 41 Annotations Catalogs SMILES SDF Mol2 Flexibase
DHI1_HUMAN P28845 CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 41 Annotations Catalogs SMILES SDF Mol2 Flexibase
KS6A3_HUMAN P51812 CHEMBL2345 Ribosomal protein S6 kinase alpha 3 41 Annotations Catalogs SMILES SDF Mol2 Flexibase
M3K9_HUMAN P80192 CHEMBL2872 Mitogen-activated protein kinase kinase kinase 9 41 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE4C_HUMAN Q08493 CHEMBL291 Phosphodiesterase 4C 40 Annotations Catalogs SMILES SDF Mol2 Flexibase
AURKC_HUMAN Q9UQB9 CHEMBL3935 Serine/threonine-protein kinase Aurora-C 39 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR2_HUMAN Q92731 CHEMBL242 Estrogen receptor beta 39 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE5A_HUMAN O76074 CHEMBL1827 Phosphodiesterase 5A 39 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A_RAT P35563 CHEMBL2411 Serotonin 3a (5-HT3a) receptor 38 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3B_HUMAN O95264 CHEMBL3895 Serotonin 3b (5-HT3b) receptor 38 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3C_HUMAN Q8WXA8 CHEMBL4795 Serotonin 3c (5-HT3c) receptor 38 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3D_HUMAN Q70Z44 CHEMBL4673 Serotonin 3d (5-HT3d) receptor 38 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1D_RAT P23944 CHEMBL326 Alpha-1d adrenergic receptor 38 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR_RAT Q920D2 CHEMBL2363 Dihydrofolate reductase 38 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_HUMAN P09917 CHEMBL215 Arachidonate 5-lipoxygenase 38 Annotations Catalogs SMILES SDF Mol2 Flexibase
M3K11_HUMAN Q16584 CHEMBL2708 Mitogen-activated protein kinase kinase kinase 11 38 Annotations Catalogs SMILES SDF Mol2 Flexibase
MP2K2_HUMAN P36507 CHEMBL2964 Dual specificity mitogen-activated protein kinase kinase 2 38 Annotations Catalogs SMILES SDF Mol2 Flexibase
PIM3_HUMAN Q86V86 CHEMBL5407 Serine/threonine-protein kinase PIM3 38 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104303 Z104303 CHEMBL1907609 Muscarinic acetylcholine receptor 38 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80840 Z80840 CHEMBL614490 ER22 cell line 38 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3B_RAT Q9JJ16 CHEMBL3458 Serotonin 3b (5-HT3b) receptor 37 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3E_HUMAN A5X5Y0 CHEMBL3812 Serotonin 3e (5-HT3e) receptor 37 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2BR_RAT P29276 CHEMBL2592 Adenosine A2b receptor 37 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH4_BOVIN Q95323 CHEMBL281 Carbonic anhydrase IV 37 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_BOVIN P20288 CHEMBL3998 Dopamine D2 receptor 37 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG2_HUMAN P18507 CHEMBL1788 GABA receptor gamma-2 subunit 37 Annotations Catalogs SMILES SDF Mol2 Flexibase
P90584_PLAFA P90584 CHEMBL4090 Protein kinase Pfmrk 37 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q72547_9HIV1 Q72547 CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase 37 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D_HUMAN P28221 CHEMBL1983 Serotonin 1d (5-HT1d) receptor 36 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNB_MARGL P15206 CHEMBL4260 G2/mitotic-specific cyclin B 36 Annotations Catalogs SMILES SDF Mol2 Flexibase
SYK_HUMAN Q15046 CHEMBL5575 Lysyl-tRNA synthetase 36 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A_BOVIN P18130 CHEMBL4892 Alpha-1a adrenergic receptor 35 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFB_RAT P19643 CHEMBL2993 Monoamine oxidase B 35 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH13_MOUSE Q9D6N1 CHEMBL2186 Carbonic anhydrase XIII 35 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR1_MOUSE P47746 CHEMBL3037 Cannabinoid CB1 receptor 35 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC1_HUMAN Q13547 CHEMBL325 Histone deacetylase 1 35 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK12_MOUSE O08911 CHEMBL2445 MAP kinase p38 gamma 35 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK13_MOUSE Q9Z1B7 CHEMBL4387 MAP kinase p38 delta 35 Annotations Catalogs SMILES SDF Mol2 Flexibase
PLK2_HUMAN Q9NYY3 CHEMBL5938 Serine/threonine-protein kinase PLK2 35 Annotations Catalogs SMILES SDF Mol2 Flexibase
AMPC_ECOLI P00811 CHEMBL2026 Beta-lactamase 34 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR_MOUSE P00375 CHEMBL4564 Dihydrofolate reductase 34 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA6_HUMAN Q16445 CHEMBL2579 GABA receptor alpha-6 subunit 34 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100491 Z100491 CHEMBL613288 Sigma 2 receptor 34 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B_HUMAN P28222 CHEMBL1898 Serotonin 1b (5-HT1b) receptor 33 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA4_RAT P09483 CHEMBL307 Neuronal acetylcholine receptor protein alpha-4 subunit 33 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM4_HUMAN P08173 CHEMBL1821 Muscarinic acetylcholine receptor M4 33 Annotations Catalogs SMILES SDF Mol2 Flexibase
DAPK3_HUMAN O43293 CHEMBL2468 Death-associated protein kinase 3 33 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR1A_RAT Q63470 CHEMBL5508 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 33 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERBB4_HUMAN Q15303 CHEMBL3009 Receptor protein-tyrosine kinase erbB-4 33 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP9_HUMAN P14780 CHEMBL321 Matrix metalloproteinase 9 33 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1_RAT P18090 CHEMBL3252 Beta-1 adrenergic receptor 32 Annotations Catalogs SMILES SDF Mol2 Flexibase
CLK3_HUMAN P49761 CHEMBL4226 Dual specificity protein kinase CLK3 32 Annotations Catalogs SMILES SDF Mol2 Flexibase
EST1_HUMAN P23141 CHEMBL2265 Acyl coenzyme A:cholesterol acyltransferase 32 Annotations Catalogs SMILES SDF Mol2 Flexibase
INCE_HUMAN Q9NQS7 CHEMBL5177 Inner centromere protein 32 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDZ1_HUMAN Q05586 CHEMBL2015 Glutamate (NMDA) receptor subunit zeta 1 32 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2BR_HUMAN P29275 CHEMBL255 Adenosine A2b receptor 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA7_RAT Q05941 CHEMBL4980 Neuronal acetylcholine receptor protein alpha-7 subunit 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR2_HUMAN P34972 CHEMBL253 Cannabinoid CB2 receptor 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
E2AK2_HUMAN P19525 CHEMBL5785 Interferon-induced, double-stranded RNA-activated protein kinase 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
E2AK3_HUMAN Q9NZJ5 CHEMBL6030 Eukaryotic translation initiation factor 2-alpha kinase 3 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDR1_HUMAN P08183 CHEMBL4302 P-glycoprotein 1 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMD3A_HUMAN Q8TCU5 CHEMBL4787 Glutamate [NMDA] receptor subunit 3A 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMD3B_HUMAN O60391 CHEMBL2913 Glutamate [NMDA] receptor subunit 3B 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE1_HUMAN Q12879 CHEMBL1972 Glutamate [NMDA] receptor subunit epsilon 1 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE2_HUMAN Q13224 CHEMBL1904 Glutamate [NMDA] receptor subunit epsilon 2 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE3_HUMAN Q14957 CHEMBL4109 Glutamate [NMDA] receptor subunit epsilon 3 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE4_HUMAN O15399 CHEMBL2591 Glutamate [NMDA] receptor subunit epsilon 4 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104290 Z104290 CHEMBL1907596 Neuronal acetylcholine receptor; alpha4/beta2 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM5_HUMAN P08912 CHEMBL2035 Muscarinic acetylcholine receptor M5 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
BLK_HUMAN P51451 CHEMBL2250 Tyrosine-protein kinase BLK 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
CATK_HUMAN P43235 CHEMBL268 Cathepsin K 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
CSK_HUMAN P41240 CHEMBL2634 Tyrosine-protein kinase CSK 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
EPHA2_HUMAN P29317 CHEMBL2068 Ephrin type-A receptor 2 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
FGFR1_MOUSE P16092 CHEMBL3960 Fibroblast growth factor receptor 1 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB3_HUMAN P28472 CHEMBL1847 GABA receptor beta-3 subunit 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA2_RAT P19491 CHEMBL3503 Glutamate receptor ionotropic, AMPA 2 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA3_RAT P19492 CHEMBL3504 Glutamate receptor ionotropic, AMPA 3 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA4_RAT P19493 CHEMBL3505 Glutamate receptor ionotropic, AMPA 4 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
KC1E_HUMAN P49674 CHEMBL4937 Casein kinase I epsilon 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP13_HUMAN P45452 CHEMBL280 Matrix metalloproteinase 13 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE3A_HUMAN Q14432 CHEMBL241 Phosphodiesterase 3A 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
RON_HUMAN Q04912 CHEMBL2689 Macrophage-stimulating protein receptor 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
THRB_HUMAN P00734 CHEMBL204 Thrombin 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
A6BR99_YERPE A6BR99 CHEMBL1075036 Yersiniabactin siderophore biosynthetic protein 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
ABCG2_HUMAN Q9UNQ0 CHEMBL5393 ATP-binding cassette sub-family G member 2 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1B_RAT P15823 CHEMBL315 Alpha-1b adrenergic receptor 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
BTK_HUMAN Q06187 CHEMBL5251 Tyrosine-protein kinase BTK 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
CSF1R_MOUSE P09581 CHEMBL5570 Macrophage colony-stimulating factor 1 receptor 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
E2AK1_HUMAN Q9BQI3 CHEMBL6029 Eukaryotic translation initiation factor 2-alpha kinase 1 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1_BOVIN P08219 CHEMBL3627 GABA receptor alpha-1 subunit 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA2_BOVIN P10063 CHEMBL2321 GABA receptor alpha-2 subunit 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA3_BOVIN P10064 CHEMBL3628 GABA receptor alpha-3 subunit 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA4_BOVIN P20237 CHEMBL3140 GABA receptor alpha-4 subunit 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA4_HUMAN P48169 CHEMBL2472 GABA receptor alpha-4 subunit 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB1_BOVIN P08220 CHEMBL2848 GABA receptor beta-1 subunit 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG2_BOVIN P22300 CHEMBL5138 GABA receptor gamma-2 subunit 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPR44_HUMAN Q9Y5Y4 CHEMBL5071 G protein-coupled receptor 44 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH3_HUMAN Q9Y5N1 CHEMBL264 Histamine H3 receptor 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE3B_HUMAN Q13370 CHEMBL290 Phosphodiesterase 3B 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
PRGR_HUMAN P06401 CHEMBL208 Progesterone receptor 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT7R_RAT P32305 CHEMBL3223 Serotonin 7 (5-HT7) receptor 28 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA3_RAT P04757 CHEMBL3818 Neuronal acetylcholine receptor protein alpha-3 subunit 28 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCNT1_HUMAN O60563 CHEMBL2108 Cyclin T1 28 Annotations Catalogs SMILES SDF Mol2 Flexibase
DDR1_HUMAN Q08345 CHEMBL5319 Epithelial discoidin domain-containing receptor 1 28 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRTS_PLAFK P13922 CHEMBL1939 Dihydrofolate reductase 28 Annotations Catalogs SMILES SDF Mol2 Flexibase
FRK_HUMAN P42685 CHEMBL4223 Tyrosine-protein kinase FRK 28 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA1_MOUSE P23818 CHEMBL3502 Glutamate receptor ionotropic, AMPA 1 28 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS1_HUMAN P29475 CHEMBL3568 Nitric-oxide synthase, brain 28 Annotations Catalogs SMILES SDF Mol2 Flexibase
PANC_MYCTU P0A5R0 CHEMBL6069 Pantothenate synthetase 28 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q72874_9HIV1 Q72874 CHEMBL243 Human immunodeficiency virus type 1 protease 28 Annotations Catalogs SMILES SDF Mol2 Flexibase
SLK_HUMAN Q9H2G2 CHEMBL4202 Serine/threonine-protein kinase 2 28 Annotations Catalogs SMILES SDF Mol2 Flexibase
Y1284_MYCTU P64797 CHEMBL5631 Uncharacterized protein Rv1284/MT1322 28 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACH10_RAT Q9JLB5 CHEMBL3461 Neuronal acetylcholine receptor protein alpha-10 subunit 27 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERG2_YEAST P32352 CHEMBL3224 C-8 sterol isomerase 27 Annotations Catalogs SMILES SDF Mol2 Flexibase
FGR_HUMAN P09769 CHEMBL4454 Tyrosine-protein kinase FGR 27 Annotations Catalogs SMILES SDF Mol2 Flexibase
GAK_HUMAN O14976 CHEMBL4355 Serine/threonine-protein kinase GAK 27 Annotations Catalogs SMILES SDF Mol2 Flexibase
GLR_MOUSE Q61606 CHEMBL4773 Glucagon receptor 27 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q5AJ71_CANAL Q5AJ71 CHEMBL5337 Carbonic anhydrase 27 Annotations