Stéphane test 01 #269 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 -7.44 -7.12 -7.38 23.01% CHEMBL1632219
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -7.23 -6.87 N/A 32.77% CHEMBL3220217
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.20 -6.84 -7.14 30.77% CHEMBL1836317
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -7.15 -7.40 N/A 30.00% CHEMBL3220219
AA1R_HUMAN adenosine A1 receptor -6.41 -6.40 -7.01 35.61% CHEMBL38779
AA2AR_HUMAN adenosine A2a receptor -6.87 -6.67 -6.88 38.46% CHEMBL43299
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -7.42 -7.78 -7.87 25.10% CHEMBL1940613
ACE_HUMAN angiotensin I converting enzyme -7.79 -7.25 -6.69 17.33% CHEMBL1242210
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -5.55 N/A N/A 15.29% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.89 -7.35 -7.08 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.04 -6.66 N/A 25.33% CHEMBL4072572
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.95 -6.98 N/A 22.75% CHEMBL353290
ADRB2_HUMAN adrenoceptor beta 2 -7.59 -6.94 -7.20 37.78% CHEMBL73917
AGTR2_HUMAN angiotensin II receptor type 2 -7.14 -7.07 -6.95 21.86% CHEMBL339544
ALDR_HUMAN aldo-keto reductase family 1 member B -7.76 -7.31 -7.30 26.09% CHEMBL372902
AMPN_HUMAN alanyl aminopeptidase, membrane -6.91 -7.23 -6.35 18.47% CHEMBL1275682
AOFA_HUMAN monoamine oxidase A -7.01 -7.20 -7.71 29.50% CHEMBL3218151
AOFB_HUMAN monoamine oxidase B -7.26 -7.78 -7.38 30.52% CHEMBL3219200
BACE1_HUMAN beta-secretase 1 -5.79 -6.69 -6.64 25.78% CHEMBL3361312
CAH2_HUMAN carbonic anhydrase 2 -6.74 -6.85 -6.49 37.64% CHEMBL3410010
CASP1_HUMAN caspase 1 -5.87 -6.03 -5.46 19.50% CHEMBL180273
CDK5_HUMAN cyclin dependent kinase 5 -6.71 -7.18 -8.69 43.02% CHEMBL1178727
CHLE_HUMAN butyrylcholinesterase -7.44 -7.05 -7.30 22.51% CHEMBL3356950
CNR1_HUMAN cannabinoid receptor 1 -6.98 -7.27 -7.63 26.67% CHEMBL2023582
CNR2_HUMAN cannabinoid receptor 2 -7.52 -7.53 N/A 32.56% CHEMBL3234705
COLI_HUMAN proopiomelanocortin -6.45 -6.33 -6.68 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.45 -5.24 -5.88 23.62% CHEMBL3289432
CRP_HUMAN C-reactive protein -5.17 -5.40 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.35 N/A N/A 20.44% CHEMBL401893
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.80 -6.37 -7.06 20.33% CHEMBL1644085
DRD2_HUMAN dopamine receptor D2 -7.62 N/A N/A 39.04% CHEMBL301265
DRD3_HUMAN dopamine receptor D3 -7.56 N/A N/A 39.04% CHEMBL301265
DRD4_HUMAN dopamine receptor D4 -7.03 -6.90 N/A 39.04% CHEMBL301265
EDN1_HUMAN endothelin 1 -6.98 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -7.26 -6.91 -6.76 23.08% CHEMBL3581636
FABP5_HUMAN fatty acid binding protein 5 -6.37 -5.07 -5.08 20.86% CHEMBL3890150
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -6.77 N/A N/A 27.78% CHEMBL482967
GLRA3_HUMAN glycine receptor alpha 3 -7.10 -7.43 -7.24 15.55% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -7.23 N/A N/A 15.55% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -7.73 -7.91 -7.60 34.50% CHEMBL2431421
HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.28 -6.24 -7.03 23.61% CHEMBL264951
HRH1_HUMAN histamine receptor H1 -7.51 N/A N/A 34.47% CHEMBL1092599
HYES_HUMAN epoxide hydrolase 2 -6.95 -7.12 -7.33 24.60% CHEMBL2392722
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -7.08 N/A N/A 25.22% CHEMBL399383
MDR1_HUMAN ATP binding cassette subfamily B member 1 -6.57 -6.25 N/A 25.28% CHEMBL163
MIF_HUMAN macrophage migration inhibitory factor -6.32 -7.20 -6.46 20.33% CHEMBL153074
MK01_HUMAN mitogen-activated protein kinase 1 -6.45 -6.16 -6.21 30.55% CHEMBL3662960
MK03_HUMAN mitogen-activated protein kinase 3 -6.68 -6.90 -7.00 16.61% CHEMBL213618
MTOR_HUMAN mechanistic target of rapamycin kinase -6.82 -7.24 -7.30 24.65% CHEMBL2178613
NEP_HUMAN membrane metalloendopeptidase -6.86 -6.07 -7.46 29.03% CHEMBL37820
NK1R_HUMAN tachykinin receptor 1 -6.84 -6.95 -7.06 23.04% CHEMBL264997
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -7.51 -7.31 -7.39 11.21% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -7.86 -7.38 -7.91 20.60% CHEMBL218547
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -7.43 -7.40 -7.39 18.15% CHEMBL248446
NOS1_HUMAN nitric oxide synthase 1 -7.48 -7.53 -7.76 34.38% CHEMBL484101
NOS2_HUMAN nitric oxide synthase 2 -7.01 -7.71 -7.48 22.73% CHEMBL490560
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -7.37 -6.97 -7.09 26.38% CHEMBL3905235
OPRD_HUMAN opioid receptor delta 1 -6.47 -5.85 -6.92 35.29% CHEMBL226167
OPRK_HUMAN opioid receptor kappa 1 -7.19 -7.03 -7.31 35.29% CHEMBL226167
OPRM_MOUSE Mu-type opioid receptor -6.93 -6.87 N/A 23.83% CHEMBL185780
OPRX_HUMAN opioid related nociceptin receptor 1 -6.41 -6.75 -6.30 25.82% CHEMBL511373
P2RX3_HUMAN purinergic receptor P2X 3 -5.08 -5.21 -5.05 25.90% CHEMBL3684561
P2Y12_HUMAN purinergic receptor P2Y12 -7.50 -7.88 -7.73 20.75% CHEMBL585948
PAR1_HUMAN coagulation factor II thrombin receptor -7.54 N/A N/A 26.32% CHEMBL4111522
PDE4B_HUMAN phosphodiesterase 4B -6.43 -7.48 -7.52 26.88% CHEMBL199015
PDE5A_HUMAN phosphodiesterase 5A -6.33 -6.82 -7.05 28.81% CHEMBL474228
PERM_HUMAN myeloperoxidase -6.95 -7.16 -6.79 16.39% CHEMBL4098162
PGH1_SHEEP Prostaglandin G/H synthase 1 -7.21 -7.59 -6.91 29.33% CHEMBL3892572
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -6.76 -6.76 -7.42 30.80% CHEMBL24687
PPAP_HUMAN acid phosphatase 3 -6.62 N/A N/A 9.60% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -6.99 -7.20 -6.65 34.25% CHEMBL343459
PRGR_HUMAN progesterone receptor -6.99 -6.91 -6.93 24.41% CHEMBL551782
PTGES_HUMAN prostaglandin E synthase -6.23 N/A N/A 30.11% CHEMBL4077049
SC6A4_HUMAN solute carrier family 6 member 4 -7.65 -7.36 -7.07 28.06% CHEMBL3128178
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.10 N/A N/A 27.65% CHEMBL1223622
TLR4_HUMAN toll like receptor 4 -6.10 -6.56 -6.67 18.14% CHEMBL375048
TNFA_HUMAN tumor necrosis factor -6.29 N/A N/A 24.21% CHEMBL3642457
TRBM_HUMAN thrombomodulin -6.41 -6.85 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -5.60 -6.15 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -6.94 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -7.68 N/A N/A 23.55% CHEMBL465990
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.00 -7.02 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.30 -6.48 N/A 23.74% CHEMBL3696446
TRXR1_HUMAN thioredoxin reductase 1 -7.09 -6.91 -5.43 N/A N/A
TRY1_HUMAN serine protease 1 -6.56 N/A N/A 29.72% CHEMBL355428