Cuz drug -001-PAin-cub #204 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 -8.22 -7.93 -8.46 29.76% CHEMBL146942
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -7.97 -8.38 N/A 37.88% CHEMBL483388
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.55 -7.70 -7.91 36.36% CHEMBL452719
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.07 -9.11 N/A 36.36% CHEMBL452719
AA1R_HUMAN adenosine A1 receptor -8.03 -7.92 -7.79 46.03% CHEMBL3314905
AA2AR_HUMAN adenosine A2a receptor -8.52 -8.75 -8.31 46.03% CHEMBL3314905
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.52 -8.23 -9.15 41.24% CHEMBL155746
ACE_HUMAN angiotensin I converting enzyme -8.25 -7.87 -7.36 24.21% CHEMBL80667
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.17 N/A N/A 14.52% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.78 -7.94 -8.43 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -9.46 -2.82 N/A 36.73% CHEMBL3085495
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.82 -7.70 N/A 36.73% CHEMBL3085495
ADRB2_HUMAN adrenoceptor beta 2 -8.23 -9.01 -8.29 27.55% CHEMBL1201153
AGTR2_HUMAN angiotensin II receptor type 2 -7.54 -7.59 -7.46 20.63% CHEMBL128416
ALDR_HUMAN aldo-keto reductase family 1 member B -7.40 -7.54 -9.00 26.60% CHEMBL129795
AMPN_HUMAN alanyl aminopeptidase, membrane -6.59 -7.15 -6.75 33.82% CHEMBL414393
AOFA_HUMAN monoamine oxidase A -8.42 -8.67 -8.76 36.59% CHEMBL590
AOFB_HUMAN monoamine oxidase B -9.25 -8.94 -9.15 41.67% CHEMBL3604125
BACE1_HUMAN beta-secretase 1 -6.74 -6.97 -7.49 33.67% CHEMBL261063
CAH2_HUMAN carbonic anhydrase 2 -6.50 -6.23 -6.20 32.14% CHEMBL105637
CASP1_HUMAN caspase 1 -5.48 -6.61 -5.30 24.27% CHEMBL466565
CDK5_HUMAN cyclin dependent kinase 5 -7.28 -8.28 -5.81 28.72% CHEMBL1988201
CHLE_HUMAN butyrylcholinesterase -8.41 -7.99 -7.80 32.79% CHEMBL325338
CNR1_HUMAN cannabinoid receptor 1 -7.32 -7.89 -9.52 50.59% CHEMBL394305
CNR2_HUMAN cannabinoid receptor 2 -9.13 -9.58 N/A 51.19% CHEMBL236171
COLI_HUMAN proopiomelanocortin -7.41 -6.90 -6.67 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.95 -5.75 -5.44 19.55% CHEMBL3425731
CRP_HUMAN C-reactive protein -5.27 -5.68 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -9.35 N/A N/A 25.27% CHEMBL191413
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.21 -5.88 -7.07 24.68% CHEMBL2029611
DRD2_HUMAN dopamine receptor D2 -7.36 N/A N/A 32.76% CHEMBL45491
DRD3_HUMAN dopamine receptor D3 -7.09 N/A N/A 33.63% CHEMBL4082631
DRD4_HUMAN dopamine receptor D4 -6.64 -6.72 N/A 30.63% CHEMBL335545
EDN1_HUMAN endothelin 1 -7.09 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -8.27 -8.22 -8.25 48.72% CHEMBL57150
FABP5_HUMAN fatty acid binding protein 5 -7.23 -5.11 -5.14 20.83% CHEMBL8659
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -7.71 N/A N/A 26.37% CHEMBL1975923
GLRA3_HUMAN glycine receptor alpha 3 -7.79 -6.82 -7.09 10.81% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -9.12 N/A N/A 10.81% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -8.93 -5.38 -6.04 26.04% CHEMBL1682795
HPGDS_HUMAN hematopoietic prostaglandin D synthase -8.18 -5.82 -5.97 21.08% CHEMBL3698265
HRH1_HUMAN histamine receptor H1 -7.93 N/A N/A 36.73% CHEMBL1101
HYES_HUMAN epoxide hydrolase 2 -7.91 -8.10 -7.11 27.47% CHEMBL243522
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -5.66 N/A N/A 37.23% CHEMBL1253688
MDR1_HUMAN ATP binding cassette subfamily B member 1 -7.92 -7.96 N/A 39.13% CHEMBL1276308
MIF_HUMAN macrophage migration inhibitory factor -6.79 -7.40 -6.58 24.67% CHEMBL2375653
MK01_HUMAN mitogen-activated protein kinase 1 -6.65 -7.10 -6.28 31.51% CHEMBL547
MK03_HUMAN mitogen-activated protein kinase 3 -6.15 -5.71 -6.64 18.66% CHEMBL555017
MTOR_HUMAN mechanistic target of rapamycin kinase -8.53 -8.57 -8.47 23.31% CHEMBL411735
NEP_HUMAN membrane metalloendopeptidase -6.80 -6.93 -6.59 31.03% CHEMBL4100250
NK1R_HUMAN tachykinin receptor 1 -8.35 -8.18 -7.34 33.05% CHEMBL2114439
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.55 -7.91 -8.21 26.73% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -8.65 -8.50 -5.44 32.56% CHEMBL3357785
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -8.66 -7.07 -8.21 20.16% CHEMBL419399
NOS1_HUMAN nitric oxide synthase 1 -6.76 -6.72 -6.98 30.11% CHEMBL6875
NOS2_HUMAN nitric oxide synthase 2 -5.19 -6.84 -8.14 30.38% CHEMBL450583
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -8.66 -8.30 -8.71 33.62% CHEMBL1978371
OPRD_HUMAN opioid receptor delta 1 -7.96 -7.10 -6.62 34.69% CHEMBL437949
OPRK_HUMAN opioid receptor kappa 1 -8.45 -8.51 -7.24 34.69% CHEMBL437949
OPRM_MOUSE Mu-type opioid receptor -9.03 -7.25 N/A 29.41% CHEMBL146248
OPRX_HUMAN opioid related nociceptin receptor 1 -7.44 -7.22 -7.58 33.33% CHEMBL3325751
P2RX3_HUMAN purinergic receptor P2X 3 -5.21 -4.79 -5.10 21.18% CHEMBL3679791
P2Y12_HUMAN purinergic receptor P2Y12 -7.09 -4.36 -5.96 23.97% CHEMBL509456
PAR1_HUMAN coagulation factor II thrombin receptor -8.08 N/A N/A 25.32% CHEMBL231695
PDE4B_HUMAN phosphodiesterase 4B -7.26 -7.74 -7.66 24.83% CHEMBL313041
PDE5A_HUMAN phosphodiesterase 5A -6.42 -7.38 -7.50 17.30% CHEMBL345179
PERM_HUMAN myeloperoxidase -7.44 -7.92 -7.64 31.40% CHEMBL3920217
PGH1_SHEEP Prostaglandin G/H synthase 1 -5.86 -8.26 -7.87 32.38% CHEMBL229955
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -3.44 -6.97 -5.98 45.74% CHEMBL92443
PPAP_HUMAN acid phosphatase 3 -7.37 N/A N/A 18.45% CHEMBL501717
PPARG_HUMAN peroxisome proliferator activated receptor gamma -6.90 -6.43 -7.39 53.01% CHEMBL75133
PRGR_HUMAN progesterone receptor -8.30 -8.31 -8.39 51.19% CHEMBL50023
PTGES_HUMAN prostaglandin E synthase -6.86 N/A N/A 34.91% CHEMBL3608370
SC6A4_HUMAN solute carrier family 6 member 4 -8.40 -8.25 -8.82 37.88% CHEMBL3769872
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -5.88 N/A N/A 29.29% CHEMBL381488
TLR4_HUMAN toll like receptor 4 -7.95 -6.91 -7.67 20.14% CHEMBL4071705
TNFA_HUMAN tumor necrosis factor -7.84 N/A N/A 20.00% CHEMBL2337619
TRBM_HUMAN thrombomodulin -6.94 -6.32 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -6.40 -6.38 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -8.26 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -8.05 N/A N/A 29.46% CHEMBL1940203
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.55 -8.02 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.99 -7.34 N/A 21.49% CHEMBL3828278
TRXR1_HUMAN thioredoxin reductase 1 -6.83 -6.87 -6.21 N/A N/A
TRY1_HUMAN serine protease 1 -5.55 N/A N/A 29.07% CHEMBL102081