Job-Mile-429 #205 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 -7.34 -7.12 -7.49 58.76% CHEMBL140415
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -6.89 -7.01 N/A 59.41% CHEMBL2023357
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.42 -7.81 -7.02 63.33% CHEMBL2022186
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -7.70 -7.26 N/A 66.67% CHEMBL2022189
AA1R_HUMAN adenosine A1 receptor -6.77 -7.29 -7.44 36.89% CHEMBL1544
AA2AR_HUMAN adenosine A2a receptor -7.00 -7.49 -7.74 34.18% CHEMBL259151
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -7.81 -7.34 -8.00 60.87% CHEMBL313582
ACE_HUMAN angiotensin I converting enzyme -6.74 -7.09 -6.64 42.14% CHEMBL254493
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.12 N/A N/A 20.90% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.70 -7.10 -7.73 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.71 -5.88 N/A 57.41% CHEMBL343236
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.72 -7.40 N/A 50.00% CHEMBL1910856
ADRB2_HUMAN adrenoceptor beta 2 -6.90 -7.64 -7.19 51.24% CHEMBL1201237
AGTR2_HUMAN angiotensin II receptor type 2 -6.82 -6.73 -6.73 37.36% CHEMBL154057
ALDR_HUMAN aldo-keto reductase family 1 member B -7.47 -7.72 -7.19 54.17% CHEMBL71562
AMPN_HUMAN alanyl aminopeptidase, membrane -7.40 -6.76 -6.58 37.21% CHEMBL1941150
AOFA_HUMAN monoamine oxidase A -7.80 -7.79 -7.91 43.82% CHEMBL1070
AOFB_HUMAN monoamine oxidase B -7.94 -8.08 -8.08 50.00% CHEMBL3741067
BACE1_HUMAN beta-secretase 1 -6.00 -6.13 -7.13 50.35% CHEMBL2407345
CAH2_HUMAN carbonic anhydrase 2 -6.80 -6.64 -6.35 49.24% CHEMBL3098847
CASP1_HUMAN caspase 1 -5.22 -6.25 -5.23 50.00% CHEMBL321074
CDK5_HUMAN cyclin dependent kinase 5 -7.32 -7.70 -7.74 31.82% CHEMBL2002726
CHLE_HUMAN butyrylcholinesterase -7.05 -7.21 -6.99 46.85% CHEMBL263785
CNR1_HUMAN cannabinoid receptor 1 -6.84 -7.33 -7.98 69.90% CHEMBL228457
CNR2_HUMAN cannabinoid receptor 2 -7.56 -7.61 N/A 71.15% CHEMBL3416120
COLI_HUMAN proopiomelanocortin -7.35 -7.52 -6.98 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.23 -5.59 -4.85 26.00% CHEMBL3425731
CRP_HUMAN C-reactive protein -5.36 -5.72 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -8.03 N/A N/A 27.64% CHEMBL556862
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.40 -6.05 -6.67 32.77% CHEMBL438934
DRD2_HUMAN dopamine receptor D2 -6.50 N/A N/A 63.30% CHEMBL3115585
DRD3_HUMAN dopamine receptor D3 -6.73 N/A N/A 63.30% CHEMBL3115585
DRD4_HUMAN dopamine receptor D4 -7.16 -7.27 N/A 63.30% CHEMBL3115585
EDN1_HUMAN endothelin 1 -6.83 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -7.65 -7.09 -7.22 59.46% CHEMBL235828
FABP5_HUMAN fatty acid binding protein 5 -6.57 -5.06 -5.23 32.31% CHEMBL212860
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -6.79 N/A N/A 39.42% CHEMBL1975923
GLRA3_HUMAN glycine receptor alpha 3 -7.52 -7.65 -7.67 19.48% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -7.97 N/A N/A 19.48% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -7.70 -5.91 -6.18 44.74% CHEMBL1348198
HPGDS_HUMAN hematopoietic prostaglandin D synthase -6.83 -6.76 -7.31 24.19% CHEMBL3698265
HRH1_HUMAN histamine receptor H1 -8.26 N/A N/A 52.54% CHEMBL1277311
HYES_HUMAN epoxide hydrolase 2 -7.33 -7.79 -6.92 57.14% CHEMBL447085
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -6.68 N/A N/A 41.07% CHEMBL3318321
MDR1_HUMAN ATP binding cassette subfamily B member 1 -6.71 -6.61 N/A 62.26% CHEMBL429041
MIF_HUMAN macrophage migration inhibitory factor -5.75 -7.32 -6.25 31.13% CHEMBL497598
MK01_HUMAN mitogen-activated protein kinase 1 -6.48 -6.37 -5.94 45.28% CHEMBL1909070
MK03_HUMAN mitogen-activated protein kinase 3 -7.00 -6.76 -6.45 34.76% CHEMBL444109
MTOR_HUMAN mechanistic target of rapamycin kinase -7.42 -7.66 -7.50 33.13% CHEMBL371029
NEP_HUMAN membrane metalloendopeptidase -6.84 -7.22 -7.53 48.06% CHEMBL37539
NK1R_HUMAN tachykinin receptor 1 -7.12 -7.09 -7.35 46.15% CHEMBL327928
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -7.59 -7.43 -7.46 21.54% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -7.35 -7.30 -7.34 36.61% CHEMBL3357784
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -7.58 -7.43 -7.46 23.33% CHEMBL419399
NOS1_HUMAN nitric oxide synthase 1 -7.42 -7.50 -7.39 35.40% CHEMBL43815
NOS2_HUMAN nitric oxide synthase 2 -5.95 -6.89 -7.20 38.40% CHEMBL1762473
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -7.15 -7.08 -7.02 34.76% CHEMBL444109
OPRD_HUMAN opioid receptor delta 1 -6.56 -6.03 -5.95 60.00% CHEMBL106910
OPRK_HUMAN opioid receptor kappa 1 -7.33 -7.67 -8.02 58.02% CHEMBL381198
OPRM_MOUSE Mu-type opioid receptor -7.96 -6.37 N/A 50.68% CHEMBL318361
OPRX_HUMAN opioid related nociceptin receptor 1 -6.59 -6.89 -6.40 54.95% CHEMBL3785605
P2RX3_HUMAN purinergic receptor P2X 3 -5.23 -4.90 -5.54 45.06% CHEMBL3679847
P2Y12_HUMAN purinergic receptor P2Y12 -7.49 -6.27 -6.80 34.01% CHEMBL91527
PAR1_HUMAN coagulation factor II thrombin receptor -7.57 N/A N/A 36.24% CHEMBL80942
PDE4B_HUMAN phosphodiesterase 4B -7.12 -7.06 -7.48 50.40% CHEMBL144499
PDE5A_HUMAN phosphodiesterase 5A -7.06 -7.51 -7.18 41.01% CHEMBL190423
PERM_HUMAN myeloperoxidase -6.95 -7.27 -7.16 39.23% CHEMBL490
PGH1_SHEEP Prostaglandin G/H synthase 1 -6.12 -8.13 -7.13 35.11% CHEMBL12952
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -6.80 -6.81 -7.40 52.34% CHEMBL13623
PPAP_HUMAN acid phosphatase 3 -7.18 N/A N/A 24.81% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -6.86 -6.67 -6.29 64.29% CHEMBL198170
PRGR_HUMAN progesterone receptor -7.43 -7.29 -7.25 45.19% CHEMBL373497
PTGES_HUMAN prostaglandin E synthase -6.55 N/A N/A 39.63% CHEMBL3608368
SC6A4_HUMAN solute carrier family 6 member 4 -7.38 -7.34 -7.61 57.14% CHEMBL459391
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.99 N/A N/A 52.10% CHEMBL205258
TLR4_HUMAN toll like receptor 4 -6.78 -7.42 -5.98 41.21% CHEMBL3261254
TNFA_HUMAN tumor necrosis factor -6.57 N/A N/A 34.04% CHEMBL72511
TRBM_HUMAN thrombomodulin -6.30 -6.13 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -6.20 -6.01 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -7.18 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -7.65 N/A N/A 41.73% CHEMBL101775
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -6.79 -7.57 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.01 -6.73 N/A 51.41% CHEMBL3664218
TRXR1_HUMAN thioredoxin reductase 1 -7.19 -6.14 -5.78 N/A N/A
TRY1_HUMAN serine protease 1 -5.61 N/A N/A 42.42% CHEMBL102081