LJ #500 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

Protein Symbol Approved Name Docking Scores Similarity
Score
Best Match
Model 1 Model 2 Model 3
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -6.38 -6.56 -6.91 49.30% CHEMBL146942
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -6.58 -6.64 N/A 60.00% CHEMBL493129
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -6.29 -6.62 -6.59 60.00% CHEMBL493129
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -6.37 -6.47 N/A 60.00% CHEMBL493129
AA1R_HUMAN adenosine A1 receptor -6.15 -6.23 -6.76 34.00% CHEMBL1544
AA2AR_HUMAN adenosine A2a receptor -6.66 -6.62 -6.52 39.56% CHEMBL2042091
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -6.57 -6.43 -6.90 60.32% CHEMBL2088633
ACE_HUMAN angiotensin I converting enzyme -5.94 -6.12 -5.74 32.23% CHEMBL254495
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -5.34 N/A N/A 13.51% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.26 -6.36 -6.39 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.10 -6.35 N/A 58.46% CHEMBL4081662
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.21 -6.79 N/A 46.99% CHEMBL83
ADRB2_HUMAN adrenoceptor beta 2 -6.06 -6.77 -7.50 44.33% CHEMBL513389
AGTR2_HUMAN angiotensin II receptor type 2 -6.34 -6.35 -6.57 28.97% CHEMBL155987
ALDR_HUMAN aldo-keto reductase family 1 member B -6.48 -6.27 -6.73 37.84% CHEMBL77283
AMPN_HUMAN alanyl aminopeptidase, membrane -5.59 -6.42 -6.13 31.34% CHEMBL414393
AOFA_HUMAN monoamine oxidase A -6.86 -6.87 -7.17 53.23% CHEMBL1070
AOFB_HUMAN monoamine oxidase B -6.89 -7.16 -7.09 51.61% CHEMBL3918471
BACE1_HUMAN beta-secretase 1 -5.16 -5.50 -6.00 45.12% CHEMBL3672445
CAH2_HUMAN carbonic anhydrase 2 -5.65 -5.56 -5.38 57.63% CHEMBL98253
CASP1_HUMAN caspase 1 -5.13 -6.06 -4.60 31.43% CHEMBL1221503
CDK5_HUMAN cyclin dependent kinase 5 -7.06 -7.24 -7.37 37.21% CHEMBL1988201
CHLE_HUMAN butyrylcholinesterase -6.40 -6.31 -6.54 42.27% CHEMBL2381394
CNR1_HUMAN cannabinoid receptor 1 -6.60 -6.48 -7.42 53.95% CHEMBL234209
CNR2_HUMAN cannabinoid receptor 2 -7.32 -6.84 N/A 56.16% CHEMBL1214644
COLI_HUMAN proopiomelanocortin -6.22 -6.33 -5.90 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -4.90 -4.50 -5.42 34.75% CHEMBL4639358
CRP_HUMAN C-reactive protein -4.73 -4.51 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.95 N/A N/A 26.55% CHEMBL220182
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.07 -5.85 -5.86 44.44% CHEMBL126657
DRD2_HUMAN dopamine receptor D2 -6.56 N/A N/A 55.13% CHEMBL30560
DRD3_HUMAN dopamine receptor D3 -7.09 N/A N/A 55.13% CHEMBL30560
DRD4_HUMAN dopamine receptor D4 -6.17 -6.92 N/A 51.19% CHEMBL134866
EDN1_HUMAN endothelin 1 -6.16 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -6.26 -6.17 -6.14 55.00% CHEMBL205119
FABP5_HUMAN fatty acid binding protein 5 -5.82 -4.27 -4.41 38.64% CHEMBL4292072
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -6.09 N/A N/A 36.56% CHEMBL221753
GLRA3_HUMAN glycine receptor alpha 3 -6.73 -6.91 -6.84 17.39% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -7.03 N/A N/A 17.39% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -6.82 -7.94 -8.10 38.54% CHEMBL1682820
HPGDS_HUMAN hematopoietic prostaglandin D synthase -5.87 -6.75 -6.63 29.37% CHEMBL4530713
HRH1_HUMAN histamine receptor H1 -6.98 N/A N/A 40.43% CHEMBL482496
HYES_HUMAN epoxide hydrolase 2 -5.91 -6.56 -6.36 43.59% CHEMBL32969
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -6.17 N/A N/A 48.31% CHEMBL3125821
MDR1_HUMAN ATP binding cassette subfamily B member 1 -5.81 -6.38 N/A 53.33% CHEMBL3632925
MIF_HUMAN macrophage migration inhibitory factor -6.21 -6.10 -5.97 32.20% CHEMBL3797437
MK01_HUMAN mitogen-activated protein kinase 1 -5.56 -5.67 -5.85 40.70% CHEMBL1909070
MK03_HUMAN mitogen-activated protein kinase 3 -6.39 -6.20 -5.59 28.75% CHEMBL4291759
MTOR_HUMAN mechanistic target of rapamycin kinase -6.57 -7.27 -6.72 34.21% CHEMBL4202641
NEP_HUMAN membrane metalloendopeptidase -6.66 -6.16 -6.65 34.23% CHEMBL11620
NK1R_HUMAN tachykinin receptor 1 -6.62 -6.45 -6.03 45.88% CHEMBL423597
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -6.81 -6.75 -7.03 28.87% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -7.22 -7.47 -7.23 51.90% CHEMBL3357784
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -6.84 -6.67 -7.03 20.63% CHEMBL419399
NOS1_HUMAN nitric oxide synthase 1 -7.06 -7.10 -6.34 36.61% CHEMBL85613
NOS2_HUMAN nitric oxide synthase 2 -5.93 -5.90 -6.43 35.58% CHEMBL1762475
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -7.47 -7.31 -7.06 28.67% CHEMBL175321
OPRD_HUMAN opioid receptor delta 1 -5.78 -5.55 -5.46 51.52% CHEMBL411
OPRK_HUMAN opioid receptor kappa 1 -7.01 -7.01 -6.57 52.56% CHEMBL4472703
OPRM_MOUSE Mu-type opioid receptor -6.47 -5.88 N/A 40.22% CHEMBL146248
OPRX_HUMAN opioid related nociceptin receptor 1 -5.81 -5.83 -6.08 41.94% CHEMBL233494
P2RX3_HUMAN purinergic receptor P2X 3 -4.43 -4.20 -4.36 29.85% CHEMBL596234
P2Y12_HUMAN purinergic receptor P2Y12 -6.47 -6.50 -6.57 30.86% CHEMBL25
PAR1_HUMAN coagulation factor II thrombin receptor -6.85 N/A N/A 29.77% CHEMBL80942
PDE4B_HUMAN phosphodiesterase 4B -6.57 -6.88 -6.78 42.27% CHEMBL511115
PDE5A_HUMAN phosphodiesterase 5A -6.68 -6.69 -6.82 27.85% CHEMBL422006
PERM_HUMAN myeloperoxidase -6.61 -6.57 -6.55 42.86% CHEMBL3920217
PGH1_SHEEP Prostaglandin G/H synthase 1 -6.18 -6.91 -6.51 60.00% CHEMBL229955
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -6.11 -6.38 -6.63 60.00% CHEMBL229955
PPAP_HUMAN acid phosphatase 3 -5.53 -5.64 N/A 29.13% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -5.94 -5.93 -5.97 47.96% CHEMBL491820
PRGR_HUMAN progesterone receptor -6.26 -6.53 -6.50 51.81% CHEMBL51788
PTGES_HUMAN prostaglandin E synthase -5.22 N/A N/A 44.58% CHEMBL140
SC6A4_HUMAN solute carrier family 6 member 4 -6.32 -6.70 -6.76 52.70% CHEMBL3966886
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.00 N/A N/A 37.74% CHEMBL203440
TLR4_HUMAN toll like receptor 4 -6.82 -6.47 -6.07 34.68% CHEMBL4076167
TNFA_HUMAN tumor necrosis factor -5.89 -5.52 -4.50 37.50% CHEMBL63
TRBM_HUMAN thrombomodulin -5.68 -4.94 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -5.16 -5.31 N/A 19.84% CHEMBL1408302
TRPM8_FICAL Uncharacterized protein -6.86 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -6.71 N/A N/A 40.86% CHEMBL2057857
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -6.34 -5.90 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -5.82 -5.88 N/A 29.08% CHEMBL3664218
TRXR1_HUMAN thioredoxin reductase 1 -5.56 -5.36 -4.84 19.57% CHEMBL4459518
TRY1_HUMAN serine protease 1 -4.68 N/A N/A 38.89% CHEMBL320817