laura #289 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 -12.48 -12.13 -10.85 57.89% CHEMBL146942
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -14.76 -11.30 N/A 64.58% CHEMBL475642
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -11.81 -10.23 -11.07 64.58% CHEMBL475642
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -11.65 -11.53 N/A 64.58% CHEMBL475642
AA1R_HUMAN adenosine A1 receptor -12.16 -12.81 -9.60 26.98% CHEMBL331504
AA2AR_HUMAN adenosine A2a receptor -11.13 -11.56 -12.90 27.78% CHEMBL86771
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -12.36 -10.58 -10.93 62.22% CHEMBL185896
ACE_HUMAN angiotensin I converting enzyme -10.35 -11.13 -7.52 35.35% CHEMBL149367
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -9.31 N/A N/A 16.17% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit 7.89 3.73 -3.68 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -5.90 30.89 N/A 55.17% CHEMBL21731
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.10 -9.76 N/A 55.17% CHEMBL21731
ADRB2_HUMAN adrenoceptor beta 2 -8.11 -8.45 -10.30 38.46% CHEMBL1800935
AGTR2_HUMAN angiotensin II receptor type 2 -10.50 -10.49 -10.45 25.47% CHEMBL128416
ALDR_HUMAN aldo-keto reductase family 1 member B -11.03 -11.52 -10.18 36.51% CHEMBL77283
AMPN_HUMAN alanyl aminopeptidase, membrane -11.18 -10.81 -11.85 50.00% CHEMBL1821978
AOFA_HUMAN monoamine oxidase A -10.52 -7.26 -0.43 56.25% CHEMBL3330334
AOFB_HUMAN monoamine oxidase B -3.86 -0.57 -3.64 56.25% CHEMBL3330330
BACE1_HUMAN beta-secretase 1 -9.73 -10.50 -11.84 38.71% CHEMBL3964236
CAH2_HUMAN carbonic anhydrase 2 -8.58 -9.52 -9.41 49.32% CHEMBL1628081
CASP1_HUMAN caspase 1 -6.91 -8.26 -6.77 37.97% CHEMBL466565
CDK5_HUMAN cyclin dependent kinase 5 -10.31 -10.09 -6.84 39.73% CHEMBL1988201
CHLE_HUMAN butyrylcholinesterase -11.63 -10.99 -10.79 37.50% CHEMBL330883
CNR1_HUMAN cannabinoid receptor 1 -7.99 -11.60 -8.57 53.45% CHEMBL233182
CNR2_HUMAN cannabinoid receptor 2 -9.35 -11.96 N/A 68.18% CHEMBL264412
COLI_HUMAN proopiomelanocortin -9.53 -8.79 -10.92 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -8.24 -8.87 -8.49 22.81% CHEMBL3425731
CRP_HUMAN C-reactive protein -6.76 -6.83 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 18.25 N/A N/A 28.38% CHEMBL191413
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -10.39 -8.52 -9.65 25.38% CHEMBL1644073
DRD2_HUMAN dopamine receptor D2 -11.90 N/A N/A 55.17% CHEMBL21731
DRD3_HUMAN dopamine receptor D3 -11.13 N/A N/A 55.17% CHEMBL21731
DRD4_HUMAN dopamine receptor D4 -10.70 -9.69 N/A 44.62% CHEMBL1242950
EDN1_HUMAN endothelin 1 -9.31 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -7.43 -8.07 -7.98 72.00% CHEMBL135236
FABP5_HUMAN fatty acid binding protein 5 -10.01 -7.42 -7.17 20.59% CHEMBL212860
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -12.11 N/A N/A 39.13% CHEMBL1975923
GLRA3_HUMAN glycine receptor alpha 3 -11.34 -10.39 -10.57 11.27% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -11.91 N/A N/A 11.27% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 2.37 9.37 8.10 47.83% CHEMBL1682795
HPGDS_HUMAN hematopoietic prostaglandin D synthase -10.59 -8.69 -7.55 18.63% CHEMBL3907283
HRH1_HUMAN histamine receptor H1 -1.17 N/A N/A 56.86% CHEMBL158780
HYES_HUMAN epoxide hydrolase 2 -11.33 -11.33 -11.71 40.23% CHEMBL1358
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -12.76 N/A N/A 41.56% CHEMBL3318321
MDR1_HUMAN ATP binding cassette subfamily B member 1 -10.42 -11.60 N/A 62.50% CHEMBL193482
MIF_HUMAN macrophage migration inhibitory factor -6.63 -9.43 -7.91 27.52% CHEMBL209588
MK01_HUMAN mitogen-activated protein kinase 1 -8.75 -10.59 -8.94 45.83% CHEMBL1909070
MK03_HUMAN mitogen-activated protein kinase 3 -9.79 -11.12 -9.88 21.10% CHEMBL3113587
MTOR_HUMAN mechanistic target of rapamycin kinase -12.88 -13.36 -12.54 30.77% CHEMBL2348411
NEP_HUMAN membrane metalloendopeptidase -8.69 -8.39 -8.25 46.15% CHEMBL4100250
NK1R_HUMAN tachykinin receptor 1 -10.97 -12.23 -11.76 49.21% CHEMBL143813
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.36 -8.50 -8.16 31.33% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -9.90 -7.99 -9.32 59.26% CHEMBL296601
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -8.36 -8.45 -8.16 24.77% CHEMBL419399
NOS1_HUMAN nitric oxide synthase 1 -9.89 -10.00 -9.12 36.00% CHEMBL6875
NOS2_HUMAN nitric oxide synthase 2 -4.85 -9.41 0.47 33.33% CHEMBL450583
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -12.12 -12.67 -12.24 24.77% CHEMBL1978371
OPRD_HUMAN opioid receptor delta 1 -10.84 -9.01 -10.04 50.00% CHEMBL294226
OPRK_HUMAN opioid receptor kappa 1 -12.34 -12.11 -10.72 51.61% CHEMBL421038
OPRM_MOUSE Mu-type opioid receptor -10.95 -10.92 N/A 45.45% CHEMBL2368127
OPRX_HUMAN opioid related nociceptin receptor 1 -9.87 -9.59 -9.44 50.82% CHEMBL3787174
P2RX3_HUMAN purinergic receptor P2X 3 -7.52 -7.74 -8.11 25.40% CHEMBL596234
P2Y12_HUMAN purinergic receptor P2Y12 -10.25 -6.33 -6.50 30.30% CHEMBL420980
PAR1_HUMAN coagulation factor II thrombin receptor -9.05 N/A N/A 28.74% CHEMBL3658406
PDE4B_HUMAN phosphodiesterase 4B -12.97 -11.60 -11.19 32.61% CHEMBL511115
PDE5A_HUMAN phosphodiesterase 5A -12.12 -12.41 -12.99 20.49% CHEMBL190423
PERM_HUMAN myeloperoxidase -11.64 -11.39 -11.23 32.56% CHEMBL1630743
PGH1_SHEEP Prostaglandin G/H synthase 1 -2.94 -8.12 -6.28 48.98% CHEMBL175
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 2.62 -6.98 -8.00 55.56% CHEMBL441414
PPAP_HUMAN acid phosphatase 3 -10.22 N/A N/A 19.77% CHEMBL501717
PPARG_HUMAN peroxisome proliferator activated receptor gamma -9.96 -7.82 -9.38 45.95% CHEMBL75133
PRGR_HUMAN progesterone receptor 1.66 6.15 -8.29 55.56% CHEMBL511812
PTGES_HUMAN prostaglandin E synthase -7.67 N/A N/A 33.33% CHEMBL3608370
SC6A4_HUMAN solute carrier family 6 member 4 -11.18 -11.47 -11.04 75.61% CHEMBL3769872
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.59 N/A N/A 37.97% CHEMBL381488
TLR4_HUMAN toll like receptor 4 -11.13 -11.18 -11.85 25.00% CHEMBL2419477
TNFA_HUMAN tumor necrosis factor -11.29 N/A N/A 24.27% CHEMBL76297
TRBM_HUMAN thrombomodulin -8.31 -9.57 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -8.65 -9.75 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -11.54 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -9.40 N/A N/A 32.11% CHEMBL493769
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -8.78 -9.36 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -8.84 -8.37 N/A 29.29% CHEMBL3828278
TRXR1_HUMAN thioredoxin reductase 1 -10.26 -9.37 -8.63 N/A N/A
TRY1_HUMAN serine protease 1 -6.77 N/A N/A 48.39% CHEMBL102081