dd106 #291 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 -8.04 -8.44 -8.17 48.28% CHEMBL344127
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -7.83 -8.29 N/A 48.72% CHEMBL360968
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.04 -8.81 -7.97 48.72% CHEMBL415029
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.44 -8.55 N/A 50.47% CHEMBL138807
AA1R_HUMAN adenosine A1 receptor -8.27 -7.49 -4.87 36.76% CHEMBL440115
AA2AR_HUMAN adenosine A2a receptor -6.94 -7.35 -7.11 33.59% CHEMBL2042091
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -7.69 -8.27 -7.42 52.89% CHEMBL3905695
ACE_HUMAN angiotensin I converting enzyme -7.66 -8.00 2.38 36.91% CHEMBL254703
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.00 N/A N/A 23.44% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit 1.94 -2.64 -5.93 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.12 7.20 N/A 50.00% CHEMBL1426275
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.74 -7.59 N/A 41.67% CHEMBL83
ADRB2_HUMAN adrenoceptor beta 2 -8.00 -8.23 -8.86 48.65% CHEMBL12876
AGTR2_HUMAN angiotensin II receptor type 2 -7.58 -7.33 -7.33 29.83% CHEMBL155987
ALDR_HUMAN aldo-keto reductase family 1 member B -7.20 -6.98 -6.95 39.38% CHEMBL3936476
AMPN_HUMAN alanyl aminopeptidase, membrane -7.84 -7.64 -6.79 35.71% CHEMBL3806197
AOFA_HUMAN monoamine oxidase A -9.30 -8.85 -7.08 47.27% CHEMBL3415801
AOFB_HUMAN monoamine oxidase B -7.81 -9.74 -8.11 51.59% CHEMBL2203919
BACE1_HUMAN beta-secretase 1 -6.44 -6.80 -7.55 39.10% CHEMBL2158252
CAH2_HUMAN carbonic anhydrase 2 -6.37 -6.00 -5.53 45.26% CHEMBL4072219
CASP1_HUMAN caspase 1 -4.89 -6.59 -6.08 45.86% CHEMBL115823
CDK5_HUMAN cyclin dependent kinase 5 -5.54 -6.48 -6.91 38.51% CHEMBL2002649
CHLE_HUMAN butyrylcholinesterase -7.57 -7.56 -7.95 52.89% CHEMBL3905695
CNR1_HUMAN cannabinoid receptor 1 -8.14 -8.04 -6.89 40.50% CHEMBL478210
CNR2_HUMAN cannabinoid receptor 2 -9.07 -8.91 N/A 66.12% CHEMBL3410833
COLI_HUMAN proopiomelanocortin -7.88 -7.75 -6.72 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.42 -4.87 -5.84 38.51% CHEMBL953
CRP_HUMAN C-reactive protein -4.87 -4.58 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 9.45 N/A N/A 27.40% CHEMBL490688
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -6.96 -5.76 -6.22 35.88% CHEMBL126657
DRD2_HUMAN dopamine receptor D2 -7.22 N/A N/A 52.21% CHEMBL87600
DRD3_HUMAN dopamine receptor D3 -7.60 N/A N/A 52.21% CHEMBL87600
DRD4_HUMAN dopamine receptor D4 -7.74 -7.77 N/A 46.46% CHEMBL3590080
EDN1_HUMAN endothelin 1 -6.87 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -8.11 -7.32 -7.24 56.56% CHEMBL4078577
FABP5_HUMAN fatty acid binding protein 5 -6.20 -4.78 -6.22 26.35% CHEMBL212860
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -7.61 N/A N/A 33.54% CHEMBL1986590
GLRA3_HUMAN glycine receptor alpha 3 -7.12 -7.28 -7.32 21.25% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -8.22 N/A N/A 21.25% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -6.94 -0.97 -3.72 31.85% CHEMBL2151818
HPGDS_HUMAN hematopoietic prostaglandin D synthase -6.97 -5.98 -7.14 26.67% CHEMBL3698263
HRH1_HUMAN histamine receptor H1 -5.96 N/A N/A 50.74% CHEMBL292275
HYES_HUMAN epoxide hydrolase 2 -8.51 -8.45 -6.99 45.67% CHEMBL3114594
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -7.33 N/A N/A 39.37% CHEMBL485008
MDR1_HUMAN ATP binding cassette subfamily B member 1 -7.10 -8.39 N/A 50.94% CHEMBL3601682
MIF_HUMAN macrophage migration inhibitory factor -3.42 -7.30 -5.75 28.30% CHEMBL3797437
MK01_HUMAN mitogen-activated protein kinase 1 -7.06 -7.27 -6.67 38.51% CHEMBL2002649
MK03_HUMAN mitogen-activated protein kinase 3 -6.89 -8.74 -7.01 30.88% CHEMBL3577644
MTOR_HUMAN mechanistic target of rapamycin kinase -8.24 -8.52 -8.81 30.95% CHEMBL1090131
NEP_HUMAN membrane metalloendopeptidase -7.78 -6.74 -8.14 41.27% CHEMBL81232
NK1R_HUMAN tachykinin receptor 1 -8.01 -7.62 -7.42 37.89% CHEMBL1951623
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.82 -8.54 -7.75 21.83% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -8.98 -8.23 -8.56 35.38% CHEMBL48029
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -7.93 -7.67 -7.75 20.66% CHEMBL248446
NOS1_HUMAN nitric oxide synthase 1 -6.68 -7.78 -7.26 29.22% CHEMBL4099944
NOS2_HUMAN nitric oxide synthase 2 -3.94 -7.40 6.50 39.42% CHEMBL1762471
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -8.32 -7.79 -8.56 40.61% CHEMBL1997275
OPRD_HUMAN opioid receptor delta 1 -5.61 -6.24 -6.06 47.28% CHEMBL2113302
OPRK_HUMAN opioid receptor kappa 1 -9.19 -8.06 -7.94 47.28% CHEMBL2113302
OPRM_MOUSE Mu-type opioid receptor -6.71 -6.69 N/A 39.43% CHEMBL2057693
OPRX_HUMAN opioid related nociceptin receptor 1 -6.65 -6.67 -6.82 41.35% CHEMBL425225
P2RX3_HUMAN purinergic receptor P2X 3 -4.71 -5.04 -4.77 31.31% CHEMBL4111666
P2Y12_HUMAN purinergic receptor P2Y12 -7.45 -5.03 -6.47 28.19% CHEMBL585306
PAR1_HUMAN coagulation factor II thrombin receptor -7.51 N/A N/A 41.34% CHEMBL3143251
PDE4B_HUMAN phosphodiesterase 4B -7.81 -7.78 -7.75 41.35% CHEMBL287687
PDE5A_HUMAN phosphodiesterase 5A -7.19 -7.98 -8.17 33.67% CHEMBL158374
PERM_HUMAN myeloperoxidase -6.40 -6.82 -6.43 33.33% CHEMBL490
PGH1_SHEEP Prostaglandin G/H synthase 1 -4.96 -4.28 -7.37 44.19% CHEMBL3357105
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 4.86 -5.65 -6.86 51.82% CHEMBL3233601
PPAP_HUMAN acid phosphatase 3 -6.38 N/A N/A 26.57% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -7.86 -8.05 -8.51 60.00% CHEMBL3355872
PRGR_HUMAN progesterone receptor 0.14 1.90 -4.86 43.50% CHEMBL2419296
PTGES_HUMAN prostaglandin E synthase -6.30 N/A N/A 36.17% CHEMBL3754065
SC6A4_HUMAN solute carrier family 6 member 4 -9.28 -8.62 -8.76 44.80% CHEMBL391193
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.58 N/A N/A 37.75% CHEMBL3632641
TLR4_HUMAN toll like receptor 4 -6.63 -6.64 -7.54 29.07% CHEMBL1824677
TNFA_HUMAN tumor necrosis factor -6.85 N/A N/A 36.00% CHEMBL72511
TRBM_HUMAN thrombomodulin -5.90 -5.63 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -6.52 -5.18 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -8.32 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -7.69 N/A N/A 46.98% CHEMBL1276940
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.12 -7.15 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -5.58 -5.07 N/A 27.78% CHEMBL3664218
TRXR1_HUMAN thioredoxin reductase 1 -7.23 -6.41 -5.28 N/A N/A
TRY1_HUMAN serine protease 1 -6.12 N/A N/A 43.42% CHEMBL85154