tia #240 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 -11.20 -11.15 -10.56 36.36% CHEMBL159381
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -10.52 -12.06 N/A 41.62% CHEMBL328662
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -11.36 -10.94 -11.31 38.56% CHEMBL422931
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -10.88 -10.70 N/A 41.62% CHEMBL328662
AA1R_HUMAN adenosine A1 receptor -10.24 -10.53 -8.31 34.09% CHEMBL3763434
AA2AR_HUMAN adenosine A2a receptor -9.84 -10.08 -10.89 36.10% CHEMBL3911977
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -12.15 -11.91 -9.18 35.14% CHEMBL380050
ACE_HUMAN angiotensin I converting enzyme -10.65 -10.07 -7.61 28.51% CHEMBL58340
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.81 N/A N/A 18.22% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -4.39 -6.59 -5.44 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -9.35 8.75 N/A 34.38% CHEMBL2110892
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.84 -8.34 N/A 34.81% CHEMBL292857
ADRB2_HUMAN adrenoceptor beta 2 -8.70 -9.15 -11.02 33.50% CHEMBL235612
AGTR2_HUMAN angiotensin II receptor type 2 -11.71 -11.57 -12.11 27.80% CHEMBL444065
ALDR_HUMAN aldo-keto reductase family 1 member B -9.41 -10.22 -9.45 27.72% CHEMBL6828
AMPN_HUMAN alanyl aminopeptidase, membrane -10.23 -10.03 -9.91 28.16% CHEMBL1160959
AOFA_HUMAN monoamine oxidase A -12.53 -11.31 -12.81 29.06% CHEMBL3781885
AOFB_HUMAN monoamine oxidase B -11.78 -11.89 -11.37 30.18% CHEMBL2391874
BACE1_HUMAN beta-secretase 1 -8.51 -8.78 -10.68 38.79% CHEMBL404839
CAH2_HUMAN carbonic anhydrase 2 -8.43 -9.41 -9.40 28.92% CHEMBL4089618
CASP1_HUMAN caspase 1 -7.28 -8.91 -6.98 31.92% CHEMBL397990
CDK5_HUMAN cyclin dependent kinase 5 -10.10 -10.27 -8.93 31.43% CHEMBL1981047
CHLE_HUMAN butyrylcholinesterase -11.39 -10.58 -10.96 29.84% CHEMBL1082082
CNR1_HUMAN cannabinoid receptor 1 -8.44 -10.64 -11.37 35.48% CHEMBL274983
CNR2_HUMAN cannabinoid receptor 2 -10.91 -11.95 N/A 40.20% CHEMBL1760931
COLI_HUMAN proopiomelanocortin -10.62 -10.77 -10.31 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -7.25 -7.01 -6.64 25.00% CHEMBL3954860
CRP_HUMAN C-reactive protein -7.74 -7.40 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -1.99 N/A N/A 27.54% CHEMBL3609018
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -11.03 -8.30 -8.75 33.55% CHEMBL3948266
DRD2_HUMAN dopamine receptor D2 -10.04 N/A N/A 38.46% CHEMBL109299
DRD3_HUMAN dopamine receptor D3 -9.49 N/A N/A 38.46% CHEMBL109299
DRD4_HUMAN dopamine receptor D4 -12.13 -12.31 N/A 38.56% CHEMBL3335543
EDN1_HUMAN endothelin 1 -8.93 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -9.50 -8.64 -8.47 31.49% CHEMBL183162
FABP5_HUMAN fatty acid binding protein 5 -10.94 -7.10 -6.24 23.46% CHEMBL212860
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -9.79 N/A N/A 31.43% CHEMBL1981047
GLRA3_HUMAN glycine receptor alpha 3 -10.49 -10.96 -10.53 15.25% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -10.64 N/A N/A 15.25% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -5.30 -4.63 -4.15 35.45% CHEMBL3922815
HPGDS_HUMAN hematopoietic prostaglandin D synthase -10.43 -7.41 -7.88 28.36% CHEMBL3698268
HRH1_HUMAN histamine receptor H1 -7.19 N/A N/A 41.62% CHEMBL328662
HYES_HUMAN epoxide hydrolase 2 -10.48 -8.98 -10.48 33.54% CHEMBL1087864
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -10.35 N/A N/A 28.02% CHEMBL3822795
MDR1_HUMAN ATP binding cassette subfamily B member 1 -10.23 -8.74 N/A 38.97% CHEMBL2449548
MIF_HUMAN macrophage migration inhibitory factor -6.90 -8.82 -6.80 36.00% CHEMBL3797437
MK01_HUMAN mitogen-activated protein kinase 1 -9.02 -9.65 -9.87 36.03% CHEMBL4110835
MK03_HUMAN mitogen-activated protein kinase 3 -9.06 -10.16 -9.89 29.70% CHEMBL3799983
MTOR_HUMAN mechanistic target of rapamycin kinase -12.32 -11.62 -10.63 31.58% CHEMBL3910225
NEP_HUMAN membrane metalloendopeptidase -8.91 -8.54 -9.50 31.60% CHEMBL3677672
NK1R_HUMAN tachykinin receptor 1 -11.57 -11.71 -12.56 100.00% CHEMBL1471
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -9.84 -9.73 -8.41 21.76% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -12.11 -10.36 -11.28 31.18% CHEMBL2013200
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -9.91 -9.45 -8.41 23.55% CHEMBL435844
NOS1_HUMAN nitric oxide synthase 1 -10.74 -11.00 -10.30 29.38% CHEMBL1270460
NOS2_HUMAN nitric oxide synthase 2 -9.69 -10.59 -1.07 35.89% CHEMBL1911989
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -10.46 -10.88 -10.81 32.20% CHEMBL3286830
OPRD_HUMAN opioid receptor delta 1 -9.17 -8.82 -9.79 37.23% CHEMBL3609618
OPRK_HUMAN opioid receptor kappa 1 -12.79 -9.53 -10.04 34.52% CHEMBL4100943
OPRM_MOUSE Mu-type opioid receptor -10.27 -9.33 N/A 36.19% CHEMBL4075409
OPRX_HUMAN opioid related nociceptin receptor 1 -9.71 -9.84 -8.93 38.69% CHEMBL1783823
P2RX3_HUMAN purinergic receptor P2X 3 -6.74 -5.68 -7.46 30.05% CHEMBL3929724
P2Y12_HUMAN purinergic receptor P2Y12 -10.44 -7.34 -8.46 28.06% CHEMBL1162165
PAR1_HUMAN coagulation factor II thrombin receptor -8.67 N/A N/A 32.55% CHEMBL3662513
PDE4B_HUMAN phosphodiesterase 4B -10.76 -11.65 -11.15 32.74% CHEMBL3113210
PDE5A_HUMAN phosphodiesterase 5A -10.66 -11.11 -10.84 31.69% CHEMBL133687
PERM_HUMAN myeloperoxidase -9.37 -10.10 -9.90 29.41% CHEMBL3910108
PGH1_SHEEP Prostaglandin G/H synthase 1 -7.52 -8.43 -9.16 28.33% CHEMBL1096385
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -2.66 -5.45 -7.42 32.30% CHEMBL388532
PPAP_HUMAN acid phosphatase 3 -9.74 N/A N/A 20.11% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -11.07 -10.07 -11.21 37.96% CHEMBL2336643
PRGR_HUMAN progesterone receptor -6.51 -7.86 -9.20 33.69% CHEMBL559974
PTGES_HUMAN prostaglandin E synthase -7.40 N/A N/A 29.66% CHEMBL2336505
SC6A4_HUMAN solute carrier family 6 member 4 -10.54 -10.53 -11.45 42.86% CHEMBL2347691
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -9.34 N/A N/A 32.86% CHEMBL3577030
TLR4_HUMAN toll like receptor 4 -9.21 -9.17 -8.83 24.27% CHEMBL2364541
TNFA_HUMAN tumor necrosis factor -9.44 N/A N/A 28.49% CHEMBL1569174
TRBM_HUMAN thrombomodulin -10.05 -9.34 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -8.92 -7.35 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -11.02 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -8.77 N/A N/A 32.80% CHEMBL2029640
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.14 -8.59 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -8.34 -9.10 N/A 38.29% CHEMBL3696429
TRXR1_HUMAN thioredoxin reductase 1 -9.68 -8.96 -7.67 N/A N/A
TRY1_HUMAN serine protease 1 -7.24 N/A N/A 33.01% CHEMBL3893474