tt #228 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 -8.26 -8.25 -8.00 33.65% CHEMBL191460
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.39 -8.80 N/A 44.44% CHEMBL49
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.50 -8.72 -9.29 44.44% CHEMBL49
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.72 -7.93 N/A 42.86% CHEMBL2260568
AA1R_HUMAN adenosine A1 receptor -7.38 -8.39 -6.79 32.03% CHEMBL3913293
AA2AR_HUMAN adenosine A2a receptor -8.19 -7.96 -8.17 29.17% CHEMBL217541
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.23 -8.23 -7.91 46.15% CHEMBL1783535
ACE_HUMAN angiotensin I converting enzyme -8.27 -8.09 -7.90 65.75% CHEMBL430630
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.91 N/A N/A 23.26% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.17 -8.22 -8.66 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.64 -5.60 N/A 51.35% CHEMBL355193
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.48 -6.69 N/A 44.44% CHEMBL479224
ADRB2_HUMAN adrenoceptor beta 2 -7.04 -6.83 -8.98 34.23% CHEMBL417709
AGTR2_HUMAN angiotensin II receptor type 2 -8.09 -7.58 -8.02 31.50% CHEMBL3350599
ALDR_HUMAN aldo-keto reductase family 1 member B -8.44 -8.34 -7.81 20.00% CHEMBL249447
AMPN_HUMAN alanyl aminopeptidase, membrane -7.86 -7.59 -7.91 47.13% CHEMBL28650
AOFA_HUMAN monoamine oxidase A -9.28 -9.44 -8.36 25.00% CHEMBL4073457
AOFB_HUMAN monoamine oxidase B -9.71 -9.78 -9.65 29.52% CHEMBL3604126
BACE1_HUMAN beta-secretase 1 -7.10 -7.18 -8.11 62.50% CHEMBL461602
CAH2_HUMAN carbonic anhydrase 2 -6.80 -6.75 -6.76 43.59% CHEMBL3400156
CASP1_HUMAN caspase 1 -6.45 -6.90 -6.06 50.62% CHEMBL285638
CDK5_HUMAN cyclin dependent kinase 5 -7.06 -8.59 -4.91 32.53% CHEMBL1994526
CHLE_HUMAN butyrylcholinesterase -8.66 -8.26 -8.13 61.02% CHEMBL1512936
CNR1_HUMAN cannabinoid receptor 1 -7.01 -8.71 -8.98 57.14% CHEMBL483143
CNR2_HUMAN cannabinoid receptor 2 -8.47 -9.09 N/A 48.91% CHEMBL1765271
COLI_HUMAN proopiomelanocortin -8.32 -7.36 -6.57 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -6.06 -5.92 -5.89 18.18% CHEMBL3819488
CRP_HUMAN C-reactive protein -6.16 -6.42 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -5.22 N/A N/A 20.54% CHEMBL556862
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.22 -6.36 -7.94 33.88% CHEMBL366033
DRD2_HUMAN dopamine receptor D2 -7.14 N/A N/A 50.75% CHEMBL317488
DRD3_HUMAN dopamine receptor D3 -8.28 N/A N/A 47.44% CHEMBL80571
DRD4_HUMAN dopamine receptor D4 -8.51 -8.39 N/A 45.05% CHEMBL274047
EDN1_HUMAN endothelin 1 -8.23 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -8.15 -7.40 -7.51 42.39% CHEMBL1222035
FABP5_HUMAN fatty acid binding protein 5 -8.61 -5.94 -5.70 32.14% CHEMBL82293
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -8.00 N/A N/A 49.40% CHEMBL407135
GLRA3_HUMAN glycine receptor alpha 3 -8.46 -8.37 -8.39 13.43% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -9.21 N/A N/A 13.43% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -9.12 -5.47 -6.65 58.93% CHEMBL1783985
HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.63 -5.92 -5.91 26.39% CHEMBL3650202
HRH1_HUMAN histamine receptor H1 -6.92 N/A N/A 34.95% CHEMBL1276860
HYES_HUMAN epoxide hydrolase 2 -8.42 -7.74 -7.74 60.00% CHEMBL192273
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -6.02 N/A N/A 28.57% CHEMBL1762621
MDR1_HUMAN ATP binding cassette subfamily B member 1 -7.86 -8.71 N/A 65.00% CHEMBL2075030
MIF_HUMAN macrophage migration inhibitory factor -4.93 -7.21 -5.89 21.29% CHEMBL554271
MK01_HUMAN mitogen-activated protein kinase 1 -7.03 -7.82 -6.89 39.25% CHEMBL3752989
MK03_HUMAN mitogen-activated protein kinase 3 -7.75 -7.19 -7.60 35.14% CHEMBL3113587
MTOR_HUMAN mechanistic target of rapamycin kinase -8.45 -8.41 -8.12 43.68% CHEMBL3972399
NEP_HUMAN membrane metalloendopeptidase -7.60 -7.42 -7.15 69.49% CHEMBL211529
NK1R_HUMAN tachykinin receptor 1 -8.31 -8.44 -8.88 38.89% CHEMBL156933
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.44 -7.96 -7.62 10.43% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -7.52 -7.80 -6.65 30.69% CHEMBL217955
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -8.41 -8.06 -7.62 21.71% CHEMBL354003
NOS1_HUMAN nitric oxide synthase 1 -7.86 -8.12 -8.31 45.45% CHEMBL11471
NOS2_HUMAN nitric oxide synthase 2 -7.22 -7.81 -8.16 51.56% CHEMBL7889
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -7.49 -7.48 -7.37 23.75% CHEMBL485556
OPRD_HUMAN opioid receptor delta 1 -6.84 -6.45 -6.75 50.00% CHEMBL3912364
OPRK_HUMAN opioid receptor kappa 1 -8.67 -9.23 -7.89 51.79% CHEMBL3890935
OPRM_MOUSE Mu-type opioid receptor -7.85 -7.55 N/A 44.33% CHEMBL440765
OPRX_HUMAN opioid related nociceptin receptor 1 -7.26 -7.30 -7.67 44.00% CHEMBL282195
P2RX3_HUMAN purinergic receptor P2X 3 -6.04 -5.26 -5.47 29.05% CHEMBL3669852
P2Y12_HUMAN purinergic receptor P2Y12 -6.98 -7.74 -6.80 33.61% CHEMBL599606
PAR1_HUMAN coagulation factor II thrombin receptor -8.44 N/A N/A 49.30% CHEMBL80672
PDE4B_HUMAN phosphodiesterase 4B -8.02 -7.39 -8.22 31.93% CHEMBL144499
PDE5A_HUMAN phosphodiesterase 5A -7.19 -8.35 -8.21 28.91% CHEMBL190423
PERM_HUMAN myeloperoxidase -7.66 -7.81 -7.74 25.62% CHEMBL1409565
PGH1_SHEEP Prostaglandin G/H synthase 1 -7.37 -8.95 -5.85 33.94% CHEMBL3809863
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -7.86 -6.46 -6.76 42.25% CHEMBL3809958
PPAP_HUMAN acid phosphatase 3 -7.63 N/A N/A 8.04% CHEMBL501717
PPARG_HUMAN peroxisome proliferator activated receptor gamma -6.73 -6.71 -7.04 54.05% CHEMBL1836976
PRGR_HUMAN progesterone receptor -9.06 -9.13 -8.49 30.00% CHEMBL503848
PTGES_HUMAN prostaglandin E synthase -7.01 N/A N/A 43.48% CHEMBL3919693
SC6A4_HUMAN solute carrier family 6 member 4 -8.65 -8.56 -8.96 41.54% CHEMBL2021577
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.67 N/A N/A 34.29% CHEMBL206758
TLR4_HUMAN toll like receptor 4 -7.70 -7.21 -7.59 30.39% CHEMBL1223752
TNFA_HUMAN tumor necrosis factor -7.73 N/A N/A 30.82% CHEMBL3806296
TRBM_HUMAN thrombomodulin -7.08 -7.45 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.41 -6.59 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -8.78 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -8.54 N/A N/A 37.66% CHEMBL15848
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -9.05 -6.76 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -7.22 -7.29 N/A 29.21% CHEMBL73188
TRXR1_HUMAN thioredoxin reductase 1 -7.72 -7.41 -6.36 N/A N/A
TRY1_HUMAN serine protease 1 -5.67 N/A N/A 58.21% CHEMBL289395