lUSOP MedTEC-586-23 #322 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 -9.27 -8.94 -8.39 33.46% CHEMBL1632218
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.56 -8.18 N/A 39.76% CHEMBL3899099
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.99 -9.00 -8.90 39.76% CHEMBL3899099
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -9.11 -9.36 N/A 39.93% CHEMBL4098357
AA1R_HUMAN adenosine A1 receptor -8.56 -8.39 -7.22 32.09% CHEMBL3234963
AA2AR_HUMAN adenosine A2a receptor -8.71 -8.70 -8.29 36.13% CHEMBL601413
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -10.10 -9.40 -6.24 42.03% CHEMBL3343928
ACE_HUMAN angiotensin I converting enzyme -8.70 -8.25 -6.32 36.84% CHEMBL148616
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.87 N/A N/A 29.51% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.55 -7.51 -5.06 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.40 -0.40 N/A 36.59% CHEMBL2206597
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.58 -7.18 N/A 36.77% CHEMBL2313397
ADRB2_HUMAN adrenoceptor beta 2 -7.39 -8.62 -9.26 37.98% CHEMBL419085
AGTR2_HUMAN angiotensin II receptor type 2 -8.97 -8.87 -8.61 37.68% CHEMBL339544
ALDR_HUMAN aldo-keto reductase family 1 member B -8.69 -8.00 -8.83 41.36% CHEMBL20685
AMPN_HUMAN alanyl aminopeptidase, membrane -8.02 -8.40 -8.16 38.41% CHEMBL1077591
AOFA_HUMAN monoamine oxidase A -9.82 -8.94 -9.45 28.19% CHEMBL3310020
AOFB_HUMAN monoamine oxidase B -9.94 -9.20 -8.37 29.43% CHEMBL3093174
BACE1_HUMAN beta-secretase 1 -6.67 -7.36 -8.01 54.89% CHEMBL3639931
CAH2_HUMAN carbonic anhydrase 2 -7.65 -7.85 -7.44 36.80% CHEMBL50045
CASP1_HUMAN caspase 1 -6.48 -7.04 -6.51 35.28% CHEMBL181768
CDK5_HUMAN cyclin dependent kinase 5 -7.50 -8.09 -7.31 31.72% CHEMBL1989043
CHLE_HUMAN butyrylcholinesterase -9.25 -9.33 -9.50 40.65% CHEMBL4078849
CNR1_HUMAN cannabinoid receptor 1 -7.63 -9.16 -10.15 46.59% CHEMBL3985937
CNR2_HUMAN cannabinoid receptor 2 -9.61 -9.96 N/A 53.60% CHEMBL3939093
COLI_HUMAN proopiomelanocortin -7.80 -7.91 -8.15 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.78 -6.33 -5.94 31.15% CHEMBL3819488
CRP_HUMAN C-reactive protein -5.70 -5.84 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -2.86 N/A N/A 41.03% CHEMBL401893
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.59 -6.99 -7.97 40.56% CHEMBL3627794
DRD2_HUMAN dopamine receptor D2 -7.85 N/A N/A 54.44% CHEMBL2152746
DRD3_HUMAN dopamine receptor D3 -8.50 N/A N/A 54.44% CHEMBL2152746
DRD4_HUMAN dopamine receptor D4 -9.58 -10.00 N/A 38.93% CHEMBL301265
EDN1_HUMAN endothelin 1 -8.75 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -7.51 -7.78 -7.77 34.73% CHEMBL434502
FABP5_HUMAN fatty acid binding protein 5 -8.06 -6.02 -5.64 29.64% CHEMBL3890665
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -8.65 N/A N/A 32.63% CHEMBL3622137
GLRA3_HUMAN glycine receptor alpha 3 -8.16 -8.72 -8.50 26.48% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -8.20 N/A N/A 26.48% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -6.36 -5.91 -5.74 43.06% CHEMBL3672914
HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.98 -7.54 -7.83 32.58% CHEMBL3650217
HRH1_HUMAN histamine receptor H1 -6.51 N/A N/A 39.76% CHEMBL3899099
HYES_HUMAN epoxide hydrolase 2 -7.94 -8.64 -8.54 30.77% CHEMBL589133
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -8.55 N/A N/A 31.11% CHEMBL492755
MDR1_HUMAN ATP binding cassette subfamily B member 1 -8.81 -8.70 N/A 47.37% CHEMBL4077753
MIF_HUMAN macrophage migration inhibitory factor -6.90 -6.66 -6.16 22.03% CHEMBL554271
MK01_HUMAN mitogen-activated protein kinase 1 -7.70 -7.54 -8.05 41.67% CHEMBL3919801
MK03_HUMAN mitogen-activated protein kinase 3 -8.30 -9.12 -8.38 30.52% CHEMBL213618
MTOR_HUMAN mechanistic target of rapamycin kinase -8.90 -9.35 -9.76 36.31% CHEMBL2334767
NEP_HUMAN membrane metalloendopeptidase -7.49 -6.96 -7.91 31.34% CHEMBL198316
NK1R_HUMAN tachykinin receptor 1 -8.05 -8.62 -8.49 39.41% CHEMBL1766208
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.66 -7.57 -8.17 18.73% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -9.43 -9.17 -8.62 25.41% CHEMBL444384
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -8.51 -8.39 -8.17 34.53% CHEMBL354003
NOS1_HUMAN nitric oxide synthase 1 -8.20 -8.17 -7.89 34.04% CHEMBL489724
NOS2_HUMAN nitric oxide synthase 2 -8.16 -8.01 -1.68 34.70% CHEMBL491723
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -8.35 -8.57 -8.47 37.16% CHEMBL3666420
OPRD_HUMAN opioid receptor delta 1 -7.62 -6.67 -7.73 40.00% CHEMBL605735
OPRK_HUMAN opioid receptor kappa 1 -9.52 -8.61 -8.89 41.74% CHEMBL1412078
OPRM_MOUSE Mu-type opioid receptor -8.45 -8.09 N/A 36.86% CHEMBL316863
OPRX_HUMAN opioid related nociceptin receptor 1 -7.79 -8.12 -8.03 38.25% CHEMBL511373
P2RX3_HUMAN purinergic receptor P2X 3 -5.73 -5.71 -5.97 39.46% CHEMBL3679841
P2Y12_HUMAN purinergic receptor P2Y12 -8.24 -7.37 -9.34 34.01% CHEMBL3322647
PAR1_HUMAN coagulation factor II thrombin receptor -7.20 N/A N/A 37.17% CHEMBL68372
PDE4B_HUMAN phosphodiesterase 4B -8.06 -7.93 -8.35 41.39% CHEMBL3288016
PDE5A_HUMAN phosphodiesterase 5A -7.87 -9.27 -8.06 43.12% CHEMBL1650876
PERM_HUMAN myeloperoxidase -7.92 -8.09 -7.97 27.00% CHEMBL86
PGH1_SHEEP Prostaglandin G/H synthase 1 -7.60 -7.34 -5.95 32.30% CHEMBL9191
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -1.70 -8.33 -7.09 38.57% CHEMBL27875
PPAP_HUMAN acid phosphatase 3 -7.40 N/A N/A 14.73% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -8.53 -8.72 -8.07 36.28% CHEMBL1778840
PRGR_HUMAN progesterone receptor 0.93 2.03 -8.02 38.71% CHEMBL551782
PTGES_HUMAN prostaglandin E synthase -7.67 N/A N/A 41.59% CHEMBL3660831
SC6A4_HUMAN solute carrier family 6 member 4 -9.56 -9.34 -9.50 43.30% CHEMBL3128180
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.89 N/A N/A 40.00% CHEMBL3960184
TLR4_HUMAN toll like receptor 4 -8.10 -7.52 -7.76 20.07% CHEMBL1223751
TNFA_HUMAN tumor necrosis factor -7.54 N/A N/A 35.31% CHEMBL3806135
TRBM_HUMAN thrombomodulin -8.55 -7.23 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.64 -6.38 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -9.22 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -8.81 N/A N/A 34.93% CHEMBL438345
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.23 -6.87 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -7.35 -7.20 N/A 34.58% CHEMBL3696446
TRXR1_HUMAN thioredoxin reductase 1 -7.93 -7.36 -6.38 N/A N/A
TRY1_HUMAN serine protease 1 -7.00 N/A N/A 53.76% CHEMBL169291