VBJ103 #428 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 -11.13 -11.31 -11.35 60.87% CHEMBL191460
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -11.73 -11.87 N/A 70.42% CHEMBL234826
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -11.15 -10.79 -11.13 80.82% CHEMBL4292719
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -10.50 -12.25 N/A 80.82% CHEMBL4292719
AA1R_HUMAN adenosine A1 receptor -10.71 -10.72 -9.31 40.30% CHEMBL3765526
AA2AR_HUMAN adenosine A2a receptor -10.22 -10.31 -9.93 43.55% CHEMBL194704
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -10.81 -9.98 -8.22 74.24% CHEMBL55014
ACE_HUMAN angiotensin I converting enzyme -9.59 -9.53 -8.21 55.43% CHEMBL172913
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.98 N/A N/A 22.78% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -8.44 -7.67 -7.03 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -10.30 5.69 N/A 65.48% CHEMBL3600801
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.37 -8.95 N/A 55.81% CHEMBL130835
ADRB2_HUMAN adrenoceptor beta 2 -9.97 -11.24 -12.10 60.92% CHEMBL1524289
AGTR2_HUMAN angiotensin II receptor type 2 -10.64 -10.96 -10.43 43.64% CHEMBL376286
ALDR_HUMAN aldo-keto reductase family 1 member B -10.93 -10.61 -10.13 37.88% CHEMBL4071420
AMPN_HUMAN alanyl aminopeptidase, membrane -9.81 -9.98 -9.52 44.25% CHEMBL4439575
AOFA_HUMAN monoamine oxidase A -12.41 -11.94 -11.96 47.13% CHEMBL4292597
AOFB_HUMAN monoamine oxidase B -11.40 -11.00 -11.53 55.17% CHEMBL4528196
BACE1_HUMAN beta-secretase 1 -8.48 -9.20 -9.01 57.61% CHEMBL3354252
CAH2_HUMAN carbonic anhydrase 2 -8.76 -8.62 -8.96 58.62% CHEMBL4462670
CASP1_HUMAN caspase 1 -7.89 -8.02 -7.78 50.50% CHEMBL590028
CDK5_HUMAN cyclin dependent kinase 5 -9.37 -9.62 -11.60 51.65% CHEMBL1990254
CHLE_HUMAN butyrylcholinesterase -9.87 -9.31 -9.90 62.50% CHEMBL4077386
CNR1_HUMAN cannabinoid receptor 1 -10.97 -10.23 -11.08 61.70% CHEMBL3397448
CNR2_HUMAN cannabinoid receptor 2 -12.49 -10.68 N/A 66.67% CHEMBL579193
COLI_HUMAN proopiomelanocortin -9.77 -9.73 -9.64 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -7.77 -7.73 -7.54 33.33% CHEMBL3818719
CRP_HUMAN C-reactive protein -6.70 -6.09 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -0.43 N/A N/A 26.78% CHEMBL556862
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -9.73 -8.15 -8.77 59.15% CHEMBL2170299
DRD2_HUMAN dopamine receptor D2 -11.25 N/A N/A 70.51% CHEMBL185156
DRD3_HUMAN dopamine receptor D3 -10.65 N/A N/A 92.54% CHEMBL485227
DRD4_HUMAN dopamine receptor D4 -10.43 -10.19 N/A 92.54% CHEMBL485227
EDN1_HUMAN endothelin 1 -10.39 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -10.08 -9.29 -9.36 56.00% CHEMBL244001
FABP5_HUMAN fatty acid binding protein 5 -5.99 -6.65 -7.02 30.87% CHEMBL3941588
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -9.35 N/A N/A 54.32% CHEMBL1968394
GLRA3_HUMAN glycine receptor alpha 3 -10.51 -9.66 -9.87 15.05% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -10.48 N/A N/A 15.05% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 -9.39 -6.83 -7.42 66.67% CHEMBL539185
HPGDS_HUMAN hematopoietic prostaglandin D synthase -9.65 -9.91 -10.33 50.48% CHEMBL4438813
HRH1_HUMAN histamine receptor H1 -9.17 N/A N/A 55.17% CHEMBL1882801
HYES_HUMAN epoxide hydrolase 2 -10.52 -9.35 -9.57 75.34% CHEMBL1507203
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -9.67 N/A N/A 43.85% CHEMBL4552331
MDR1_HUMAN ATP binding cassette subfamily B member 1 -10.15 -10.62 N/A 58.90% CHEMBL2398097
MIF_HUMAN macrophage migration inhibitory factor -9.24 -9.63 -9.17 44.23% CHEMBL4203719
MK01_HUMAN mitogen-activated protein kinase 1 -8.72 -8.78 -9.53 56.96% CHEMBL1977135
MK03_HUMAN mitogen-activated protein kinase 3 -9.63 -9.64 -9.23 48.70% CHEMBL3798926
MTOR_HUMAN mechanistic target of rapamycin kinase -11.39 -11.58 -11.41 43.28% CHEMBL1795875
NEP_HUMAN membrane metalloendopeptidase -8.59 -8.78 -10.38 55.29% CHEMBL378050
NK1R_HUMAN tachykinin receptor 1 -9.62 -9.52 -9.69 58.88% CHEMBL305375
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -11.00 -10.10 -10.54 30.77% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -11.85 -10.97 -10.69 50.59% CHEMBL4636728
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -11.10 -9.87 -10.54 32.14% CHEMBL354003
NOS1_HUMAN nitric oxide synthase 1 -10.68 -10.97 -10.32 42.86% CHEMBL258348
NOS2_HUMAN nitric oxide synthase 2 -9.73 -9.83 -3.54 44.94% CHEMBL3589087
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -9.69 -11.13 -10.75 53.49% CHEMBL1976290
OPRD_HUMAN opioid receptor delta 1 -8.79 -8.03 -8.96 65.43% CHEMBL27579
OPRK_HUMAN opioid receptor kappa 1 -10.72 -10.51 -9.62 63.86% CHEMBL340724
OPRM_MOUSE Mu-type opioid receptor -9.54 -9.73 N/A 61.63% CHEMBL2051964
OPRX_HUMAN opioid related nociceptin receptor 1 -8.97 -8.83 -9.20 60.76% CHEMBL3969636
P2RX3_HUMAN purinergic receptor P2X 3 -6.87 -6.97 -7.48 41.10% CHEMBL3669697
P2Y12_HUMAN purinergic receptor P2Y12 -9.49 -8.79 -10.02 48.28% CHEMBL599606
PAR1_HUMAN coagulation factor II thrombin receptor -9.70 N/A N/A 46.30% CHEMBL3658415
PDE4B_HUMAN phosphodiesterase 4B -9.94 -9.58 -10.28 41.03% CHEMBL288928
PDE5A_HUMAN phosphodiesterase 5A -9.81 -10.05 -10.28 43.80% CHEMBL190423
PERM_HUMAN myeloperoxidase -8.69 -8.94 -9.01 42.17% CHEMBL3892909
PGH1_SHEEP Prostaglandin G/H synthase 1 -8.11 -9.66 -8.27 50.00% CHEMBL268643
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -3.90 -8.13 -9.33 47.27% CHEMBL148931
PPAP_HUMAN acid phosphatase 3 -8.88 -9.39 N/A 27.84% CHEMBL498632
PPARG_HUMAN peroxisome proliferator activated receptor gamma -9.48 -9.97 -9.62 52.50% CHEMBL3695819
PRGR_HUMAN progesterone receptor -0.04 1.11 -5.36 45.22% CHEMBL144345
PTGES_HUMAN prostaglandin E synthase -7.61 N/A N/A 51.30% CHEMBL3092283
SC6A4_HUMAN solute carrier family 6 member 4 -11.09 -10.66 -10.49 71.60% CHEMBL3612829
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -9.57 N/A N/A 56.98% CHEMBL2152694
TLR4_HUMAN toll like receptor 4 -10.59 -10.78 -10.33 41.38% CHEMBL4173765
TNFA_HUMAN tumor necrosis factor -8.23 -8.46 -6.99 41.18% CHEMBL11440
TRBM_HUMAN thrombomodulin -9.30 -7.09 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -8.28 -8.21 N/A 21.80% CHEMBL1408302
TRPM8_FICAL Uncharacterized protein -10.52 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -10.64 N/A N/A 51.69% CHEMBL86708
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -9.23 -9.16 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -9.10 -7.41 N/A 40.62% CHEMBL3639953
TRXR1_HUMAN thioredoxin reductase 1 -9.62 -9.83 -7.74 30.37% CHEMBL4459518
TRY1_HUMAN serine protease 1 -7.67 N/A N/A 54.78% CHEMBL45106