Francesca_RfFurano #294 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 -9.05 -9.09 -9.47 40.72% CHEMBL602674
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.12 -9.20 N/A 53.38% CHEMBL3358494
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.44 -9.24 -9.18 56.41% CHEMBL1455766
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.80 -8.97 N/A 51.82% CHEMBL496739
AA1R_HUMAN adenosine A1 receptor -8.60 -8.43 -8.95 40.44% CHEMBL164457
AA2AR_HUMAN adenosine A2a receptor -8.03 -8.12 -8.85 40.44% CHEMBL164457
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.99 -9.57 -7.67 40.31% CHEMBL155392
ACE_HUMAN angiotensin I converting enzyme -9.19 -8.06 -7.66 38.69% CHEMBL2112767
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.66 N/A N/A 23.90% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.10 -9.30 -5.06 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -5.43 5.38 N/A 56.41% CHEMBL1455766
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.42 -8.96 N/A 56.41% CHEMBL1455766
ADRB2_HUMAN adrenoceptor beta 2 -8.10 -8.96 -9.61 49.13% CHEMBL1348147
AGTR2_HUMAN angiotensin II receptor type 2 -8.73 -8.28 -8.05 35.75% CHEMBL36324
ALDR_HUMAN aldo-keto reductase family 1 member B -9.00 -9.35 -8.97 38.52% CHEMBL282245
AMPN_HUMAN alanyl aminopeptidase, membrane -9.49 -9.52 -8.44 29.76% CHEMBL1077590
AOFA_HUMAN monoamine oxidase A -9.88 -10.30 -9.88 38.51% CHEMBL1814057
AOFB_HUMAN monoamine oxidase B -10.08 -10.08 -10.16 37.38% CHEMBL338404
BACE1_HUMAN beta-secretase 1 -7.43 -7.25 -8.05 40.00% CHEMBL202507
CAH2_HUMAN carbonic anhydrase 2 -7.82 -7.96 -8.19 60.00% CHEMBL431742
CASP1_HUMAN caspase 1 -7.38 -6.80 -7.06 41.55% CHEMBL114830
CDK5_HUMAN cyclin dependent kinase 5 -7.44 -8.13 -9.19 35.71% CHEMBL1990254
CHLE_HUMAN butyrylcholinesterase -8.58 -8.22 -8.83 34.38% CHEMBL3752555
CNR1_HUMAN cannabinoid receptor 1 -8.27 -11.31 -9.23 55.92% CHEMBL428779
CNR2_HUMAN cannabinoid receptor 2 -8.88 -8.85 N/A 54.81% CHEMBL2336536
COLI_HUMAN proopiomelanocortin -9.32 -9.88 -8.35 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -6.48 -6.02 -6.22 25.53% CHEMBL3818719
CRP_HUMAN C-reactive protein -6.87 -6.18 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -1.26 N/A N/A 33.33% CHEMBL253921
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.45 -7.51 -8.10 40.00% CHEMBL3627798
DRD2_HUMAN dopamine receptor D2 -8.88 N/A N/A 53.38% CHEMBL3596212
DRD3_HUMAN dopamine receptor D3 -9.25 N/A N/A 60.50% CHEMBL3358106
DRD4_HUMAN dopamine receptor D4 -9.69 -9.91 N/A 48.65% CHEMBL139926
EDN1_HUMAN endothelin 1 -7.73 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -6.58 -7.38 -7.49 39.75% CHEMBL3916398
FABP5_HUMAN fatty acid binding protein 5 -6.11 -6.32 -6.42 18.78% CHEMBL3950316
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -8.31 N/A N/A 34.85% CHEMBL1988141
GLRA3_HUMAN glycine receptor alpha 3 -8.40 -8.45 -8.46 26.17% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -9.08 N/A N/A 26.17% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 -8.16 -5.02 -4.56 39.61% CHEMBL551894
HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.57 -8.50 -8.25 49.35% CHEMBL3698273
HRH1_HUMAN histamine receptor H1 -8.04 N/A N/A 56.41% CHEMBL1455766
HYES_HUMAN epoxide hydrolase 2 -8.83 -8.93 -8.79 54.72% CHEMBL381544
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -8.51 N/A N/A 37.97% CHEMBL2375685
MDR1_HUMAN ATP binding cassette subfamily B member 1 -8.17 -8.58 N/A 43.56% CHEMBL2
MIF_HUMAN macrophage migration inhibitory factor -7.20 -7.13 -6.06 38.89% CHEMBL3409229
MK01_HUMAN mitogen-activated protein kinase 1 -7.26 -7.81 -7.50 35.71% CHEMBL1990254
MK03_HUMAN mitogen-activated protein kinase 3 -8.45 -8.76 -7.92 29.45% CHEMBL3798109
MTOR_HUMAN mechanistic target of rapamycin kinase -9.09 -9.02 -8.75 36.46% CHEMBL3670249
NEP_HUMAN membrane metalloendopeptidase -7.89 -7.62 -8.13 39.64% CHEMBL3677674
NK1R_HUMAN tachykinin receptor 1 -8.38 -7.98 -8.11 37.58% CHEMBL319653
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.29 -8.46 -8.37 31.13% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -9.41 -9.53 -8.39 29.28% CHEMBL2013206
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -7.39 -8.45 -8.37 27.46% CHEMBL159739
NOS1_HUMAN nitric oxide synthase 1 -9.55 -9.52 -9.81 34.59% CHEMBL96680
NOS2_HUMAN nitric oxide synthase 2 -8.34 -9.90 -3.74 38.89% CHEMBL490886
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -9.42 -9.53 -8.78 34.85% CHEMBL1988141
OPRD_HUMAN opioid receptor delta 1 -7.37 -6.48 -7.71 51.75% CHEMBL339621
OPRK_HUMAN opioid receptor kappa 1 -9.03 -8.35 -8.17 56.41% CHEMBL1713967
OPRM_MOUSE Mu-type opioid receptor -8.27 -8.05 N/A 43.48% CHEMBL186281
OPRX_HUMAN opioid related nociceptin receptor 1 -8.09 -7.47 -8.29 33.33% CHEMBL257921
P2RX3_HUMAN purinergic receptor P2X 3 -6.31 -6.28 -6.30 32.84% CHEMBL3679809
P2Y12_HUMAN purinergic receptor P2Y12 -9.22 -6.26 -8.86 35.35% CHEMBL591212
PAR1_HUMAN coagulation factor II thrombin receptor -7.24 N/A N/A 54.81% CHEMBL1270824
PDE4B_HUMAN phosphodiesterase 4B -9.39 -9.54 -9.54 30.06% CHEMBL383225
PDE5A_HUMAN phosphodiesterase 5A -9.51 -9.63 -9.12 33.33% CHEMBL334903
PERM_HUMAN myeloperoxidase -7.60 -7.62 -7.52 32.85% CHEMBL86
PGH1_SHEEP Prostaglandin G/H synthase 1 -7.80 -8.94 -7.61 40.48% CHEMBL268643
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -3.16 -4.58 -7.15 36.93% CHEMBL271551
PPAP_HUMAN acid phosphatase 3 -8.30 N/A N/A 23.62% CHEMBL498632
PPARG_HUMAN peroxisome proliferator activated receptor gamma -8.40 -9.49 -8.39 42.11% CHEMBL1085795
PRGR_HUMAN progesterone receptor -4.59 -2.87 -6.84 31.21% CHEMBL1163630
PTGES_HUMAN prostaglandin E synthase -6.84 N/A N/A 41.61% CHEMBL3092271
SC6A4_HUMAN solute carrier family 6 member 4 -9.48 -10.14 -10.10 48.89% CHEMBL3612827
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.74 N/A N/A 38.69% CHEMBL426790
TLR4_HUMAN toll like receptor 4 -7.37 -7.71 -7.66 25.50% CHEMBL2419466
TNFA_HUMAN tumor necrosis factor -8.06 N/A N/A 36.73% CHEMBL11440
TRBM_HUMAN thrombomodulin -7.86 -6.90 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -6.99 -8.29 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -9.16 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -8.69 N/A N/A 34.62% CHEMBL185683
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -8.57 -8.02 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.61 -6.96 N/A 25.00% CHEMBL3696375
TRXR1_HUMAN thioredoxin reductase 1 -7.60 -8.20 -6.87 N/A N/A
TRY1_HUMAN serine protease 1 -6.84 N/A N/A 43.31% CHEMBL156858