Francesca_RfNaftalene #293 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 -10.37 -11.42 -10.46 41.18% CHEMBL97637
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -10.82 -10.57 N/A 49.51% CHEMBL3753894
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -10.64 -11.40 -11.37 71.11% CHEMBL1455766
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -10.78 -10.98 N/A 49.51% CHEMBL3753894
AA1R_HUMAN adenosine A1 receptor -8.97 -10.11 -6.96 33.33% CHEMBL209019
AA2AR_HUMAN adenosine A2a receptor -8.71 -9.31 -7.07 38.79% CHEMBL1800358
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -11.19 -10.87 -4.58 48.19% CHEMBL1669479
ACE_HUMAN angiotensin I converting enzyme -11.02 -8.21 -2.65 42.48% CHEMBL2112767
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -9.03 N/A N/A 23.63% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit 2.16 2.01 -2.23 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -4.03 19.22 N/A 71.11% CHEMBL1455766
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.43 -6.95 N/A 71.11% CHEMBL1455766
ADRB2_HUMAN adrenoceptor beta 2 -8.26 -10.50 -10.99 46.00% CHEMBL1600429
AGTR2_HUMAN angiotensin II receptor type 2 -10.63 -10.36 -10.26 36.25% CHEMBL39352
ALDR_HUMAN aldo-keto reductase family 1 member B -11.38 -12.57 -11.31 36.76% CHEMBL279878
AMPN_HUMAN alanyl aminopeptidase, membrane -10.95 -10.42 -9.99 34.07% CHEMBL3805986
AOFA_HUMAN monoamine oxidase A -12.59 -12.84 -10.81 43.69% CHEMBL2158251
AOFB_HUMAN monoamine oxidase B -11.68 -11.34 -11.60 51.28% CHEMBL338404
BACE1_HUMAN beta-secretase 1 -8.00 -9.04 -9.51 44.34% CHEMBL202507
CAH2_HUMAN carbonic anhydrase 2 -9.03 -9.38 -8.86 84.29% CHEMBL123652
CASP1_HUMAN caspase 1 -8.05 -7.95 -7.21 48.00% CHEMBL589552
CDK5_HUMAN cyclin dependent kinase 5 -9.43 -9.31 -10.84 44.90% CHEMBL1990254
CHLE_HUMAN butyrylcholinesterase -10.48 -11.05 -11.40 42.59% CHEMBL4089230
CNR1_HUMAN cannabinoid receptor 1 -9.99 -10.65 -7.47 50.41% CHEMBL522114
CNR2_HUMAN cannabinoid receptor 2 -8.67 -10.23 N/A 51.06% CHEMBL2336558
COLI_HUMAN proopiomelanocortin -10.71 -9.13 -10.24 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -7.71 -7.88 -8.12 33.33% CHEMBL3818719
CRP_HUMAN C-reactive protein -6.83 -6.27 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 8.93 N/A N/A 27.27% CHEMBL191413
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -9.31 -7.98 -9.36 41.25% CHEMBL213871
DRD2_HUMAN dopamine receptor D2 -10.81 N/A N/A 53.45% CHEMBL26
DRD3_HUMAN dopamine receptor D3 -11.28 N/A N/A 53.45% CHEMBL26
DRD4_HUMAN dopamine receptor D4 -11.51 -12.08 N/A 51.52% CHEMBL182075
EDN1_HUMAN endothelin 1 -9.26 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -8.39 -9.57 -9.23 39.19% CHEMBL4075710
FABP5_HUMAN fatty acid binding protein 5 -6.04 -7.27 -7.73 19.19% CHEMBL3950316
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -10.86 N/A N/A 43.27% CHEMBL1988141
GLRA3_HUMAN glycine receptor alpha 3 -9.52 -9.30 -8.91 21.11% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -9.05 N/A N/A 21.11% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 -6.54 -3.79 -4.11 39.58% CHEMBL1682798
HPGDS_HUMAN hematopoietic prostaglandin D synthase -8.98 -9.95 -9.57 45.36% CHEMBL2035656
HRH1_HUMAN histamine receptor H1 -6.92 N/A N/A 71.11% CHEMBL1455766
HYES_HUMAN epoxide hydrolase 2 -10.51 -10.17 -9.31 73.08% CHEMBL381544
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -10.43 N/A N/A 49.47% CHEMBL397008
MDR1_HUMAN ATP binding cassette subfamily B member 1 -10.20 -11.95 N/A 49.43% CHEMBL2074727
MIF_HUMAN macrophage migration inhibitory factor -3.16 -8.59 -7.66 53.16% CHEMBL3409229
MK01_HUMAN mitogen-activated protein kinase 1 -9.35 -9.79 -8.99 44.90% CHEMBL1990254
MK03_HUMAN mitogen-activated protein kinase 3 -9.90 -9.66 -9.96 34.45% CHEMBL3798109
MTOR_HUMAN mechanistic target of rapamycin kinase -10.26 -10.65 -10.47 38.00% CHEMBL2158842
NEP_HUMAN membrane metalloendopeptidase -8.48 -8.39 -9.30 33.33% CHEMBL51576
NK1R_HUMAN tachykinin receptor 1 -10.40 -10.09 -10.25 43.43% CHEMBL106555
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -9.06 -8.91 -9.22 36.29% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -11.10 -10.27 -11.16 29.89% CHEMBL159530
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -9.03 -8.88 -9.22 30.72% CHEMBL159739
NOS1_HUMAN nitric oxide synthase 1 -10.40 -10.76 -10.06 30.56% CHEMBL271248
NOS2_HUMAN nitric oxide synthase 2 -6.74 -10.69 25.84 48.98% CHEMBL490886
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -10.51 -11.97 -11.80 43.27% CHEMBL1988141
OPRD_HUMAN opioid receptor delta 1 -8.81 -7.04 -8.79 63.64% CHEMBL339621
OPRK_HUMAN opioid receptor kappa 1 -10.31 -10.25 -10.13 71.11% CHEMBL1713967
OPRM_MOUSE Mu-type opioid receptor -10.06 -9.11 N/A 45.45% CHEMBL2311130
OPRX_HUMAN opioid related nociceptin receptor 1 -9.27 -9.11 -9.67 39.22% CHEMBL283301
P2RX3_HUMAN purinergic receptor P2X 3 -7.15 -6.77 -6.94 32.41% CHEMBL413145
P2Y12_HUMAN purinergic receptor P2Y12 -10.02 -8.88 -11.05 35.80% CHEMBL591212
PAR1_HUMAN coagulation factor II thrombin receptor -9.54 N/A N/A 37.29% CHEMBL3658415
PDE4B_HUMAN phosphodiesterase 4B -9.20 -10.54 -10.38 37.59% CHEMBL383225
PDE5A_HUMAN phosphodiesterase 5A -9.45 -9.74 -9.29 28.16% CHEMBL493552
PERM_HUMAN myeloperoxidase -9.50 -10.24 -9.66 40.37% CHEMBL86
PGH1_SHEEP Prostaglandin G/H synthase 1 -7.64 -7.58 -6.48 45.10% CHEMBL268643
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 6.63 -5.78 -8.79 40.23% CHEMBL294715
PPAP_HUMAN acid phosphatase 3 -9.05 N/A N/A 30.30% CHEMBL68858
PPARG_HUMAN peroxisome proliferator activated receptor gamma -9.60 -9.99 -9.36 48.31% CHEMBL3678104
PRGR_HUMAN progesterone receptor 4.59 5.87 -1.30 35.51% CHEMBL3094480
PTGES_HUMAN prostaglandin E synthase -7.26 N/A N/A 50.00% CHEMBL3092271
SC6A4_HUMAN solute carrier family 6 member 4 -12.19 -12.53 -10.38 57.50% CHEMBL565639
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -8.65 N/A N/A 44.53% CHEMBL3971777
TLR4_HUMAN toll like receptor 4 -9.60 -9.97 -9.93 20.55% CHEMBL3823499
TNFA_HUMAN tumor necrosis factor -8.29 N/A N/A 41.98% CHEMBL1465706
TRBM_HUMAN thrombomodulin -9.47 -8.18 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -8.66 -7.24 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -10.67 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -9.99 N/A N/A 40.38% CHEMBL185683
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -8.70 -9.10 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -8.11 -7.66 N/A 29.29% CHEMBL3696375
TRXR1_HUMAN thioredoxin reductase 1 -9.52 -10.03 -7.88 N/A N/A
TRY1_HUMAN serine protease 1 -7.19 N/A N/A 54.55% CHEMBL156858