LH test1 #253 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 -6.00 -6.05 -5.61 23.08% CHEMBL191460
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -5.76 -5.56 N/A 42.31% CHEMBL1123
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -5.44 -5.80 -5.65 42.31% CHEMBL1123
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -6.04 -5.93 N/A 42.31% CHEMBL1123
AA1R_HUMAN adenosine A1 receptor -5.37 -5.23 -6.10 23.33% CHEMBL3955407
AA2AR_HUMAN adenosine A2a receptor -5.96 -5.99 -5.77 21.14% CHEMBL438823
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -6.22 -5.68 -6.53 40.32% CHEMBL1783535
ACE_HUMAN angiotensin I converting enzyme -6.12 -5.49 -5.55 48.72% CHEMBL311988
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -5.07 N/A N/A 12.80% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.49 -5.81 -6.54 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -6.20 -5.20 N/A 50.00% CHEMBL353311
ACM4_HUMAN cholinergic receptor muscarinic 4 -6.05 -6.03 N/A 42.31% CHEMBL1123
ADRB2_HUMAN adrenoceptor beta 2 -6.36 -6.48 -6.35 21.79% CHEMBL1332942
AGTR2_HUMAN angiotensin II receptor type 2 -5.83 -5.78 -5.71 18.45% CHEMBL376286
ALDR_HUMAN aldo-keto reductase family 1 member B -6.18 -6.47 -6.12 25.81% CHEMBL173813
AMPN_HUMAN alanyl aminopeptidase, membrane -5.44 -5.79 -5.71 72.22% CHEMBL27519
AOFA_HUMAN monoamine oxidase A -6.24 -6.06 -6.69 25.42% CHEMBL3605361
AOFB_HUMAN monoamine oxidase B -6.47 -6.55 -6.64 25.42% CHEMBL3605359
BACE1_HUMAN beta-secretase 1 -5.01 -5.05 -5.53 38.78% CHEMBL3586197
CAH2_HUMAN carbonic anhydrase 2 -6.07 -5.97 -5.66 46.43% CHEMBL1946183
CASP1_HUMAN caspase 1 -4.71 -4.91 -4.70 35.14% CHEMBL466565
CDK5_HUMAN cyclin dependent kinase 5 -5.81 -5.77 -6.24 29.69% CHEMBL1994526
CHLE_HUMAN butyrylcholinesterase -5.77 -5.69 -5.71 61.90% CHEMBL1512936
CNR1_HUMAN cannabinoid receptor 1 -5.85 -6.20 -6.22 41.18% CHEMBL483143
CNR2_HUMAN cannabinoid receptor 2 -6.34 -5.91 N/A 35.19% CHEMBL1422818
COLI_HUMAN proopiomelanocortin -6.12 -5.70 -4.93 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -4.13 -4.73 -4.44 11.02% CHEMBL3425731
CRP_HUMAN C-reactive protein -5.15 -5.00 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.66 N/A N/A 11.69% CHEMBL191413
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -6.20 -4.82 -5.27 19.47% CHEMBL366033
DRD2_HUMAN dopamine receptor D2 -6.21 N/A N/A 28.99% CHEMBL1909065
DRD3_HUMAN dopamine receptor D3 -5.67 N/A N/A 42.31% CHEMBL1123
DRD4_HUMAN dopamine receptor D4 -5.73 -5.97 N/A 31.25% CHEMBL1779058
EDN1_HUMAN endothelin 1 -5.24 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -5.97 -5.52 -5.62 35.19% CHEMBL2103774
FABP5_HUMAN fatty acid binding protein 5 -5.50 -4.64 -4.47 67.86% CHEMBL82293
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -5.75 N/A N/A 29.33% CHEMBL407135
GLRA3_HUMAN glycine receptor alpha 3 -5.78 -6.13 -5.95 8.46% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -5.92 N/A N/A 8.46% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -6.18 -5.46 -5.72 72.97% CHEMBL90501
HPGDS_HUMAN hematopoietic prostaglandin D synthase -5.24 -5.30 -5.16 24.32% CHEMBL1743209
HRH1_HUMAN histamine receptor H1 -6.52 N/A N/A 29.07% CHEMBL1276859
HYES_HUMAN epoxide hydrolase 2 -6.27 -6.21 -6.30 55.32% CHEMBL215387
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -4.72 N/A N/A 34.33% CHEMBL1762621
MDR1_HUMAN ATP binding cassette subfamily B member 1 -5.62 -5.74 N/A 65.52% CHEMBL27769
MIF_HUMAN macrophage migration inhibitory factor -5.27 -5.67 -5.02 16.07% CHEMBL209588
MK01_HUMAN mitogen-activated protein kinase 1 -5.42 -5.02 -5.82 23.23% CHEMBL3752989
MK03_HUMAN mitogen-activated protein kinase 3 -5.55 -5.51 -5.17 20.59% CHEMBL3113587
MTOR_HUMAN mechanistic target of rapamycin kinase -5.79 -5.81 -5.65 44.44% CHEMBL169
NEP_HUMAN membrane metalloendopeptidase -5.69 -6.05 -6.46 55.32% CHEMBL211529
NK1R_HUMAN tachykinin receptor 1 -5.52 -6.07 -5.39 28.09% CHEMBL283872
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -6.50 -6.54 -5.73 6.38% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -5.79 -5.84 -5.35 18.84% CHEMBL3357791
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -5.52 -5.87 -5.73 12.73% CHEMBL354003
NOS1_HUMAN nitric oxide synthase 1 -6.46 -6.39 -5.88 40.82% CHEMBL11471
NOS2_HUMAN nitric oxide synthase 2 -6.45 -6.10 -6.65 52.17% CHEMBL7889
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -5.31 -5.33 -5.49 19.05% CHEMBL1996791
OPRD_HUMAN opioid receptor delta 1 -5.74 -5.25 -4.93 32.18% CHEMBL3955687
OPRK_HUMAN opioid receptor kappa 1 -5.97 -5.58 -6.21 48.72% CHEMBL3890935
OPRM_MOUSE Mu-type opioid receptor -5.64 -5.12 N/A 34.67% CHEMBL2057689
OPRX_HUMAN opioid related nociceptin receptor 1 -5.23 -5.25 -5.42 31.25% CHEMBL3325747
P2RX3_HUMAN purinergic receptor P2X 3 -4.31 -4.22 -4.70 18.84% CHEMBL3669852
P2Y12_HUMAN purinergic receptor P2Y12 -5.56 -5.90 -6.11 22.03% CHEMBL299895
PAR1_HUMAN coagulation factor II thrombin receptor -5.80 N/A N/A 36.21% CHEMBL80672
PDE4B_HUMAN phosphodiesterase 4B -5.89 -5.90 -6.25 25.56% CHEMBL511115
PDE5A_HUMAN phosphodiesterase 5A -5.58 -6.19 -6.60 22.12% CHEMBL190423
PERM_HUMAN myeloperoxidase -5.51 -5.63 -5.82 21.74% CHEMBL3145355
PGH1_SHEEP Prostaglandin G/H synthase 1 -5.25 -5.86 -5.53 39.22% CHEMBL503071
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -5.55 -5.52 -5.90 33.90% CHEMBL504631
PPAP_HUMAN acid phosphatase 3 -6.24 N/A N/A 5.88% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -4.84 -5.21 -5.10 42.55% CHEMBL230006
PRGR_HUMAN progesterone receptor -5.85 -6.00 -5.80 35.19% CHEMBL1162
PTGES_HUMAN prostaglandin E synthase -4.90 N/A N/A 45.45% CHEMBL566929
SC6A4_HUMAN solute carrier family 6 member 4 -5.57 -5.78 -5.95 35.19% CHEMBL2107797
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -6.58 N/A N/A 28.09% CHEMBL206758
TLR4_HUMAN toll like receptor 4 -6.04 -5.43 -5.66 29.27% CHEMBL1223752
TNFA_HUMAN tumor necrosis factor -5.56 N/A N/A 18.06% CHEMBL3938524
TRBM_HUMAN thrombomodulin -4.90 -5.18 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -6.03 -5.27 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -5.68 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -5.64 N/A N/A 27.42% CHEMBL15848
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -6.53 -6.02 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -4.78 -5.26 N/A 20.55% CHEMBL73188
TRXR1_HUMAN thioredoxin reductase 1 -5.32 -5.71 -4.66 N/A N/A
TRY1_HUMAN serine protease 1 -4.55 N/A N/A 49.02% CHEMBL323543