Velvet Journigan #198 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 -8.40 -8.44 -9.11 40.27% CHEMBL321190
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.11 -8.29 N/A 50.71% CHEMBL1802360
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.97 -9.04 -8.35 43.31% CHEMBL51
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.96 -8.80 N/A 48.48% CHEMBL219916
AA1R_HUMAN adenosine A1 receptor -8.44 -9.22 -5.34 49.06% CHEMBL559990
AA2AR_HUMAN adenosine A2a receptor -8.66 -9.14 -8.71 49.06% CHEMBL559990
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.77 -9.87 -9.00 45.96% CHEMBL1773485
ACE_HUMAN angiotensin I converting enzyme -8.00 -8.88 -7.13 44.17% CHEMBL3414811
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.70 N/A N/A 23.83% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -3.29 -5.16 -4.05 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -4.79 5.46 N/A 51.11% CHEMBL2059304
ACM4_HUMAN cholinergic receptor muscarinic 4 -6.13 -5.88 N/A 49.19% CHEMBL2146597
ADRB2_HUMAN adrenoceptor beta 2 -7.91 -7.81 -8.40 42.69% CHEMBL1528906
AGTR2_HUMAN angiotensin II receptor type 2 -8.66 -8.47 -8.26 33.33% CHEMBL288705
ALDR_HUMAN aldo-keto reductase family 1 member B -8.83 -8.35 -7.61 35.71% CHEMBL10413
AMPN_HUMAN alanyl aminopeptidase, membrane -8.39 -8.50 -7.99 28.03% CHEMBL2332527
AOFA_HUMAN monoamine oxidase A -8.72 -8.43 -6.36 36.96% CHEMBL1645548
AOFB_HUMAN monoamine oxidase B -7.97 -8.53 -7.01 44.07% CHEMBL2312975
BACE1_HUMAN beta-secretase 1 -7.48 -7.96 -7.95 35.90% CHEMBL1923753
CAH2_HUMAN carbonic anhydrase 2 -8.03 -8.09 -7.89 45.34% CHEMBL3827113
CASP1_HUMAN caspase 1 -6.11 -7.06 -6.27 42.76% CHEMBL1221646
CDK5_HUMAN cyclin dependent kinase 5 -6.92 -7.56 -6.73 34.72% CHEMBL1994956
CHLE_HUMAN butyrylcholinesterase -9.09 -9.38 -8.77 43.36% CHEMBL452339
CNR1_HUMAN cannabinoid receptor 1 -7.42 -9.29 -10.36 51.75% CHEMBL527071
CNR2_HUMAN cannabinoid receptor 2 -8.50 -9.37 N/A 54.86% CHEMBL498152
COLI_HUMAN proopiomelanocortin -7.82 -7.25 -8.10 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -6.76 -6.42 -7.00 32.69% CHEMBL3980370
CRP_HUMAN C-reactive protein -6.25 -6.07 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -0.64 N/A N/A 21.76% CHEMBL3609011
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.98 -7.24 -7.22 38.36% CHEMBL853
DRD2_HUMAN dopamine receptor D2 -8.01 N/A N/A 51.11% CHEMBL2059304
DRD3_HUMAN dopamine receptor D3 -8.05 N/A N/A 50.71% CHEMBL1802360
DRD4_HUMAN dopamine receptor D4 -8.19 -7.93 N/A 43.31% CHEMBL51
EDN1_HUMAN endothelin 1 -7.31 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -5.57 -7.85 -6.42 41.46% CHEMBL1395826
FABP5_HUMAN fatty acid binding protein 5 -8.04 -6.19 -5.96 27.60% CHEMBL3950316
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -7.38 N/A N/A 43.03% CHEMBL3335371
GLRA3_HUMAN glycine receptor alpha 3 -8.39 -8.43 -8.32 19.68% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -9.43 N/A N/A 19.68% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -4.10 -2.52 -2.99 39.35% CHEMBL1682808
HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.94 -6.77 -5.85 31.07% CHEMBL3425948
HRH1_HUMAN histamine receptor H1 -6.85 N/A N/A 48.48% CHEMBL219916
HYES_HUMAN epoxide hydrolase 2 -8.77 -8.70 -8.02 40.00% CHEMBL397694
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -7.85 N/A N/A 34.23% CHEMBL484012
MDR1_HUMAN ATP binding cassette subfamily B member 1 -8.01 -7.67 N/A 48.48% CHEMBL219916
MIF_HUMAN macrophage migration inhibitory factor -5.79 -6.07 -6.28 29.35% CHEMBL3943378
MK01_HUMAN mitogen-activated protein kinase 1 -7.09 -7.88 -7.27 39.78% CHEMBL1230122
MK03_HUMAN mitogen-activated protein kinase 3 -7.80 -8.21 -7.98 33.56% CHEMBL29197
MTOR_HUMAN mechanistic target of rapamycin kinase -8.66 -9.00 -8.18 45.68% CHEMBL3681182
NEP_HUMAN membrane metalloendopeptidase -6.96 -7.22 -6.93 36.20% CHEMBL213944
NK1R_HUMAN tachykinin receptor 1 -8.21 -8.59 -8.30 48.41% CHEMBL2313631
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.61 -8.39 -7.74 14.84% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -8.00 -8.79 -8.37 38.85% CHEMBL3797704
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -8.60 -8.35 -7.74 29.76% CHEMBL354003
NOS1_HUMAN nitric oxide synthase 1 -8.32 -8.50 -7.62 34.33% CHEMBL3217000
NOS2_HUMAN nitric oxide synthase 2 -6.92 -7.77 -7.01 33.70% CHEMBL387348
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -9.41 -7.54 -8.62 36.46% CHEMBL3673446
OPRD_HUMAN opioid receptor delta 1 -7.39 -6.86 -6.80 48.63% CHEMBL427683
OPRK_HUMAN opioid receptor kappa 1 -9.26 -7.71 -7.71 52.42% CHEMBL146013
OPRM_MOUSE Mu-type opioid receptor -8.46 -7.72 N/A 30.18% CHEMBL2419123
OPRX_HUMAN opioid related nociceptin receptor 1 -7.15 -7.22 -7.45 57.04% CHEMBL1080485
P2RX3_HUMAN purinergic receptor P2X 3 -5.85 -5.71 -6.04 40.72% CHEMBL3948852
P2Y12_HUMAN purinergic receptor P2Y12 -7.30 -5.62 -7.62 47.40% CHEMBL91044
PAR1_HUMAN coagulation factor II thrombin receptor -6.25 N/A N/A 43.33% CHEMBL95359
PDE4B_HUMAN phosphodiesterase 4B -8.26 -8.49 -8.97 50.60% CHEMBL3938524
PDE5A_HUMAN phosphodiesterase 5A -7.96 -8.47 -8.04 41.46% CHEMBL144400
PERM_HUMAN myeloperoxidase -8.17 -8.34 -8.57 39.46% CHEMBL1409565
PGH1_SHEEP Prostaglandin G/H synthase 1 -5.60 -6.31 -5.49 33.51% CHEMBL421385
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -2.77 -4.59 -6.63 35.26% CHEMBL97411
PPAP_HUMAN acid phosphatase 3 -7.96 N/A N/A 17.50% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -7.71 -6.96 -8.06 46.07% CHEMBL1946567
PRGR_HUMAN progesterone receptor -8.80 -8.13 -9.15 44.22% CHEMBL188228
PTGES_HUMAN prostaglandin E synthase -5.79 N/A N/A 37.66% CHEMBL3770411
SC6A4_HUMAN solute carrier family 6 member 4 -9.01 -9.11 -9.18 44.68% CHEMBL514193
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -6.60 N/A N/A 36.56% CHEMBL3941343
TLR4_HUMAN toll like receptor 4 -8.16 -7.59 -7.66 37.78% CHEMBL1223752
TNFA_HUMAN tumor necrosis factor -7.71 N/A N/A 56.93% CHEMBL3944621
TRBM_HUMAN thrombomodulin -7.33 -8.37 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.51 -6.59 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -8.61 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -6.71 N/A N/A 32.37% CHEMBL436839
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.15 -6.67 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -7.12 -6.57 N/A 29.51% CHEMBL3664218
TRXR1_HUMAN thioredoxin reductase 1 -7.95 -7.59 -6.66 N/A N/A
TRY1_HUMAN serine protease 1 -5.94 N/A N/A 40.80% CHEMBL25184