tesdr #245 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 -9.67 -9.95 -9.42 48.19% CHEMBL95104
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -10.14 -9.32 N/A 54.05% CHEMBL4076408
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -10.28 -10.11 -9.97 52.74% CHEMBL209324
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -9.28 -9.91 N/A 49.03% CHEMBL600210
AA1R_HUMAN adenosine A1 receptor -9.36 -9.27 -7.94 39.13% CHEMBL1760893
AA2AR_HUMAN adenosine A2a receptor -9.41 -8.82 -10.08 41.92% CHEMBL486282
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -10.73 -10.50 -8.15 49.67% CHEMBL3922423
ACE_HUMAN angiotensin I converting enzyme -9.29 -9.50 -8.09 41.18% CHEMBL514138
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.29 N/A N/A 22.91% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -7.09 -8.81 -7.67 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -10.09 -4.14 N/A 43.95% CHEMBL270580
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.71 -7.34 N/A 44.71% CHEMBL4082397
ADRB2_HUMAN adrenoceptor beta 2 -10.59 -10.97 -10.99 60.27% CHEMBL1490889
AGTR2_HUMAN angiotensin II receptor type 2 -9.34 -9.19 -8.88 37.66% CHEMBL74144
ALDR_HUMAN aldo-keto reductase family 1 member B -8.82 -9.34 -10.31 42.42% CHEMBL240719
AMPN_HUMAN alanyl aminopeptidase, membrane -9.40 -9.20 -9.81 32.08% CHEMBL1828920
AOFA_HUMAN monoamine oxidase A -10.68 -10.64 -11.03 47.97% CHEMBL3319257
AOFB_HUMAN monoamine oxidase B -11.08 -10.30 -10.74 47.97% CHEMBL3319257
BACE1_HUMAN beta-secretase 1 -7.76 -8.52 -9.20 42.08% CHEMBL1097346
CAH2_HUMAN carbonic anhydrase 2 -8.38 -7.87 -8.14 64.12% CHEMBL295343
CASP1_HUMAN caspase 1 -7.00 -7.79 -6.92 54.84% CHEMBL3133256
CDK5_HUMAN cyclin dependent kinase 5 -8.25 -9.10 -8.25 42.76% CHEMBL1967612
CHLE_HUMAN butyrylcholinesterase -9.47 -9.42 -9.09 44.81% CHEMBL4105611
CNR1_HUMAN cannabinoid receptor 1 -7.14 -9.99 -10.12 89.47% CHEMBL246302
CNR2_HUMAN cannabinoid receptor 2 -10.61 -10.24 N/A 86.72% CHEMBL253462
COLI_HUMAN proopiomelanocortin -9.51 -8.65 -8.64 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -6.98 -6.47 -6.15 31.17% CHEMBL3818719
CRP_HUMAN C-reactive protein -6.46 -6.68 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.03 N/A N/A 40.70% CHEMBL386072
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -9.23 -7.20 -7.88 40.00% CHEMBL3627862
DRD2_HUMAN dopamine receptor D2 -9.26 N/A N/A 54.39% CHEMBL238917
DRD3_HUMAN dopamine receptor D3 -10.26 N/A N/A 54.82% CHEMBL238915
DRD4_HUMAN dopamine receptor D4 -9.96 -10.17 N/A 49.70% CHEMBL106917
EDN1_HUMAN endothelin 1 -8.77 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -8.84 -8.82 -8.42 55.56% CHEMBL204185
FABP5_HUMAN fatty acid binding protein 5 -9.19 -6.68 -6.31 33.86% CHEMBL3941588
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -9.26 N/A N/A 40.72% CHEMBL12131
GLRA3_HUMAN glycine receptor alpha 3 -9.49 -9.41 -9.45 35.06% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -9.51 N/A N/A 35.06% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -9.06 -7.11 -6.62 43.48% CHEMBL2338560
HPGDS_HUMAN hematopoietic prostaglandin D synthase -8.58 -7.82 -9.73 36.31% CHEMBL3650206
HRH1_HUMAN histamine receptor H1 -8.70 N/A N/A 47.98% CHEMBL2207654
HYES_HUMAN epoxide hydrolase 2 -9.75 -9.96 -9.10 62.68% CHEMBL2313192
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -8.34 N/A N/A 50.00% CHEMBL230055
MDR1_HUMAN ATP binding cassette subfamily B member 1 -8.97 -9.04 N/A 46.28% CHEMBL3612980
MIF_HUMAN macrophage migration inhibitory factor -7.47 -7.17 -6.46 28.79% CHEMBL554271
MK01_HUMAN mitogen-activated protein kinase 1 -8.58 -8.01 -9.12 48.53% CHEMBL291338
MK03_HUMAN mitogen-activated protein kinase 3 -8.81 -8.49 -8.48 35.20% CHEMBL1336
MTOR_HUMAN mechanistic target of rapamycin kinase -9.64 -9.60 -9.51 43.90% CHEMBL3594042
NEP_HUMAN membrane metalloendopeptidase -8.71 -8.82 -9.82 30.77% CHEMBL467602
NK1R_HUMAN tachykinin receptor 1 -9.17 -8.68 -8.87 47.98% CHEMBL321098
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -9.69 -9.02 -8.70 39.38% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -10.60 -10.30 -9.82 30.86% CHEMBL444384
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -9.73 -8.78 -8.70 40.41% CHEMBL159739
NOS1_HUMAN nitric oxide synthase 1 -9.66 -9.12 -9.88 36.14% CHEMBL491922
NOS2_HUMAN nitric oxide synthase 2 -9.37 -9.33 -8.63 40.46% CHEMBL512501
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -8.39 -9.92 -8.61 44.64% CHEMBL1996795
OPRD_HUMAN opioid receptor delta 1 -8.23 -8.01 -7.58 44.29% CHEMBL571324
OPRK_HUMAN opioid receptor kappa 1 -9.71 -9.47 -9.22 46.85% CHEMBL1710945
OPRM_MOUSE Mu-type opioid receptor -9.08 -8.78 N/A 37.58% CHEMBL283552
OPRX_HUMAN opioid related nociceptin receptor 1 -8.72 -8.55 -8.80 51.06% CHEMBL3942616
P2RX3_HUMAN purinergic receptor P2X 3 -6.60 -5.99 -6.67 36.98% CHEMBL3674806
P2Y12_HUMAN purinergic receptor P2Y12 -8.98 -8.92 -9.26 40.95% CHEMBL2419489
PAR1_HUMAN coagulation factor II thrombin receptor -9.83 N/A N/A 41.22% CHEMBL2049115
PDE4B_HUMAN phosphodiesterase 4B -8.92 -9.49 -9.28 44.91% CHEMBL576479
PDE5A_HUMAN phosphodiesterase 5A -9.09 -9.87 -9.03 45.95% CHEMBL544540
PERM_HUMAN myeloperoxidase -8.49 -8.61 -8.66 34.42% CHEMBL86
PGH1_SHEEP Prostaglandin G/H synthase 1 -9.65 -8.99 -9.58 39.13% CHEMBL8916
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -5.01 -6.87 -8.25 48.53% CHEMBL291338
PPAP_HUMAN acid phosphatase 3 -8.01 N/A N/A 22.42% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -9.16 -9.66 -8.98 51.72% CHEMBL496534
PRGR_HUMAN progesterone receptor -6.62 -6.36 -8.87 43.21% CHEMBL591072
PTGES_HUMAN prostaglandin E synthase -8.63 N/A N/A 47.53% CHEMBL3092270
SC6A4_HUMAN solute carrier family 6 member 4 -9.82 -9.29 -9.56 52.74% CHEMBL209324
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -8.57 N/A N/A 41.36% CHEMBL3657813
TLR4_HUMAN toll like receptor 4 -9.25 -9.93 -8.74 29.03% CHEMBL1223752
TNFA_HUMAN tumor necrosis factor -8.17 N/A N/A 62.00% CHEMBL1607187
TRBM_HUMAN thrombomodulin -10.13 -7.68 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.82 -7.57 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -9.79 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -8.95 N/A N/A 44.00% CHEMBL214880
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -8.49 -9.42 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -8.49 -8.07 N/A 42.86% CHEMBL3692262
TRXR1_HUMAN thioredoxin reductase 1 -9.01 -8.28 -7.26 N/A N/A
TRY1_HUMAN serine protease 1 -6.70 N/A N/A 48.48% CHEMBL297835