Testing_Mars #196 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 -9.17 -8.56 -8.70 52.33% CHEMBL29951
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.03 -7.44 N/A 51.67% CHEMBL3695438
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.23 -8.89 -8.63 50.79% CHEMBL445106
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.30 -9.00 N/A 50.79% CHEMBL445106
AA1R_HUMAN adenosine A1 receptor -7.38 -8.32 -7.49 29.83% CHEMBL3317575
AA2AR_HUMAN adenosine A2a receptor -7.41 -7.57 -9.01 34.58% CHEMBL559023
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.63 -9.43 -9.40 66.50% CHEMBL569978
ACE_HUMAN angiotensin I converting enzyme -8.43 -8.77 -8.11 37.56% CHEMBL58042
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.82 N/A N/A 21.64% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -6.14 -1.99 -6.24 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -10.07 6.12 N/A 45.40% CHEMBL343236
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.45 -7.40 N/A 39.79% CHEMBL1346
ADRB2_HUMAN adrenoceptor beta 2 -7.23 -8.95 -8.91 43.82% CHEMBL513389
AGTR2_HUMAN angiotensin II receptor type 2 -8.35 -8.62 -8.30 43.12% CHEMBL156129
ALDR_HUMAN aldo-keto reductase family 1 member B -8.51 -7.93 -7.86 32.38% CHEMBL311679
AMPN_HUMAN alanyl aminopeptidase, membrane -7.88 -7.72 -7.82 33.63% CHEMBL1782887
AOFA_HUMAN monoamine oxidase A -8.88 -8.77 -7.70 34.78% CHEMBL4073457
AOFB_HUMAN monoamine oxidase B -9.80 -7.70 -8.74 36.31% CHEMBL4113794
BACE1_HUMAN beta-secretase 1 -6.92 -7.40 -9.31 43.35% CHEMBL3955763
CAH2_HUMAN carbonic anhydrase 2 -8.08 -8.08 -7.96 40.22% CHEMBL3786651
CASP1_HUMAN caspase 1 -5.75 -7.77 -6.21 34.47% CHEMBL3898379
CDK5_HUMAN cyclin dependent kinase 5 -6.55 -7.48 -5.57 29.44% CHEMBL422897
CHLE_HUMAN butyrylcholinesterase -9.08 -8.77 -9.08 43.54% CHEMBL4085222
CNR1_HUMAN cannabinoid receptor 1 -7.90 -8.41 -9.27 57.39% CHEMBL303479
CNR2_HUMAN cannabinoid receptor 2 -9.48 -8.97 N/A 57.39% CHEMBL303479
COLI_HUMAN proopiomelanocortin -8.90 -7.67 -6.53 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.79 -6.38 -6.48 22.62% CHEMBL3819488
CRP_HUMAN C-reactive protein -6.28 -6.42 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -8.94 N/A N/A 28.57% CHEMBL490688
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.28 -6.61 -7.80 33.77% CHEMBL2029611
DRD2_HUMAN dopamine receptor D2 -7.92 N/A N/A 56.07% CHEMBL170976
DRD3_HUMAN dopamine receptor D3 -8.16 N/A N/A 56.07% CHEMBL170976
DRD4_HUMAN dopamine receptor D4 -8.83 -9.07 N/A 47.42% CHEMBL132261
EDN1_HUMAN endothelin 1 -7.58 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -9.61 -9.23 -7.49 45.08% CHEMBL178559
FABP5_HUMAN fatty acid binding protein 5 -8.26 -6.28 -6.30 30.39% CHEMBL437489
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -8.25 N/A N/A 29.26% CHEMBL221753
GLRA3_HUMAN glycine receptor alpha 3 -8.53 -8.43 -8.44 24.22% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -9.56 N/A N/A 24.22% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -6.08 -2.70 -4.79 32.97% CHEMBL1289626
HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.97 -6.31 -6.29 23.62% CHEMBL3698265
HRH1_HUMAN histamine receptor H1 -7.42 N/A N/A 45.00% CHEMBL476839
HYES_HUMAN epoxide hydrolase 2 -8.26 -8.32 -8.53 42.47% CHEMBL1672128
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -6.26 N/A N/A 31.38% CHEMBL1672879
MDR1_HUMAN ATP binding cassette subfamily B member 1 -8.64 -7.21 N/A 100.00% CHEMBL485
MIF_HUMAN macrophage migration inhibitory factor -6.51 -7.33 -7.04 30.33% CHEMBL2375651
MK01_HUMAN mitogen-activated protein kinase 1 -6.88 -8.31 -7.26 39.92% CHEMBL555017
MK03_HUMAN mitogen-activated protein kinase 3 -6.74 -8.01 -7.77 39.92% CHEMBL555017
MTOR_HUMAN mechanistic target of rapamycin kinase -8.82 -8.98 -9.12 33.72% CHEMBL4074753
NEP_HUMAN membrane metalloendopeptidase -7.34 -7.47 -6.95 38.73% CHEMBL2062138
NK1R_HUMAN tachykinin receptor 1 -9.23 -8.25 -8.01 45.16% CHEMBL2114439
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -7.71 -6.92 -7.29 25.52% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -7.85 -8.65 -6.57 40.00% CHEMBL3357783
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -7.63 -6.92 -7.29 20.72% CHEMBL419399
NOS1_HUMAN nitric oxide synthase 1 -7.25 -7.27 -8.58 34.93% CHEMBL42968
NOS2_HUMAN nitric oxide synthase 2 -7.39 -8.20 -8.05 34.93% CHEMBL42968
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -7.93 -8.23 -8.26 39.69% CHEMBL444109
OPRD_HUMAN opioid receptor delta 1 -7.24 -6.85 -6.91 99.41% CHEMBL70
OPRK_HUMAN opioid receptor kappa 1 -8.56 -8.16 -7.89 99.41% CHEMBL70
OPRM_MOUSE Mu-type opioid receptor -8.47 -8.30 N/A 99.41% CHEMBL70
OPRX_HUMAN opioid related nociceptin receptor 1 -7.35 -6.98 -7.52 93.85% CHEMBL3262362
P2RX3_HUMAN purinergic receptor P2X 3 -5.94 -5.83 -5.91 35.32% CHEMBL3679847
P2Y12_HUMAN purinergic receptor P2Y12 -7.33 -3.53 -6.00 28.38% CHEMBL2172277
PAR1_HUMAN coagulation factor II thrombin receptor -9.13 N/A N/A 34.22% CHEMBL3086083
PDE4B_HUMAN phosphodiesterase 4B -8.26 -7.86 -8.59 46.49% CHEMBL144499
PDE5A_HUMAN phosphodiesterase 5A -7.76 -8.03 -8.05 32.23% CHEMBL190423
PERM_HUMAN myeloperoxidase -8.32 -8.50 -8.28 35.38% CHEMBL490
PGH1_SHEEP Prostaglandin G/H synthase 1 -5.20 -7.30 -6.55 35.35% CHEMBL229957
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -3.61 -4.96 -7.21 35.45% CHEMBL13988
PPAP_HUMAN acid phosphatase 3 -7.80 N/A N/A 20.87% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -6.74 -5.57 -6.82 43.78% CHEMBL1836977
PRGR_HUMAN progesterone receptor -8.63 -7.93 -8.92 40.51% CHEMBL51933
PTGES_HUMAN prostaglandin E synthase -6.17 N/A N/A 38.24% CHEMBL3753433
SC6A4_HUMAN solute carrier family 6 member 4 -9.33 -9.39 -8.50 46.95% CHEMBL434728
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -5.96 N/A N/A 40.45% CHEMBL3662107
TLR4_HUMAN toll like receptor 4 -7.25 -7.42 -7.47 38.29% CHEMBL3261029
TNFA_HUMAN tumor necrosis factor -7.73 N/A N/A 54.91% CHEMBL2337619
TRBM_HUMAN thrombomodulin -7.48 -7.32 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.29 -6.93 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -9.24 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -6.93 N/A N/A 42.49% CHEMBL97968
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -8.61 -8.69 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.71 -6.85 N/A 44.66% CHEMBL3664218
TRXR1_HUMAN thioredoxin reductase 1 -7.90 -7.94 -7.18 N/A N/A
TRY1_HUMAN serine protease 1 -5.53 N/A N/A 33.10% CHEMBL73970