CBD #241 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 -8.14 -7.68 -7.95 49.40% CHEMBL146942
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.06 -8.58 N/A 46.74% CHEMBL268890
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.65 -7.57 -7.84 41.98% CHEMBL510383
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.22 -8.22 N/A 41.98% CHEMBL510383
AA1R_HUMAN adenosine A1 receptor -7.64 -7.91 -6.95 26.67% CHEMBL103150
AA2AR_HUMAN adenosine A2a receptor -7.37 -7.32 -7.99 27.00% CHEMBL496
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -8.83 -9.41 -7.54 49.14% CHEMBL3818616
ACE_HUMAN angiotensin I converting enzyme -7.25 -7.61 -6.90 28.68% CHEMBL55583
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.35 N/A N/A 15.15% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.82 -6.40 -6.54 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.39 -4.00 N/A 41.90% CHEMBL3085495
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.04 -7.26 N/A 41.90% CHEMBL3085495
ADRB2_HUMAN adrenoceptor beta 2 -7.45 -8.43 -8.18 37.89% CHEMBL1800960
AGTR2_HUMAN angiotensin II receptor type 2 -8.87 -8.35 -8.81 25.84% CHEMBL154057
ALDR_HUMAN aldo-keto reductase family 1 member B -8.54 -7.17 -7.28 39.58% CHEMBL129795
AMPN_HUMAN alanyl aminopeptidase, membrane -6.92 -7.17 -7.18 27.39% CHEMBL1782887
AOFA_HUMAN monoamine oxidase A -8.81 -8.89 -8.06 42.99% CHEMBL3909535
AOFB_HUMAN monoamine oxidase B -8.29 -7.87 -8.34 42.99% CHEMBL3909535
BACE1_HUMAN beta-secretase 1 -6.62 -7.13 -7.45 53.68% CHEMBL261063
CAH2_HUMAN carbonic anhydrase 2 -6.81 -6.58 -6.48 42.71% CHEMBL68257
CASP1_HUMAN caspase 1 -5.69 -6.85 -5.91 26.55% CHEMBL466565
CDK5_HUMAN cyclin dependent kinase 5 -7.09 -7.52 -5.69 33.64% CHEMBL2000879
CHLE_HUMAN butyrylcholinesterase -7.93 -8.07 -8.33 40.19% CHEMBL3586200
CNR1_HUMAN cannabinoid receptor 1 -6.98 -8.42 -8.77 98.61% CHEMBL394305
CNR2_HUMAN cannabinoid receptor 2 -8.94 -8.59 N/A 100.00% CHEMBL236171
COLI_HUMAN proopiomelanocortin -7.41 -7.42 -6.65 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.78 -5.96 -5.60 22.58% CHEMBL1324
CRP_HUMAN C-reactive protein -5.38 -5.30 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.95 N/A N/A 24.71% CHEMBL254370
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.67 -6.70 -6.91 32.14% CHEMBL126657
DRD2_HUMAN dopamine receptor D2 -6.91 N/A N/A 42.86% CHEMBL1159663
DRD3_HUMAN dopamine receptor D3 -7.34 N/A N/A 62.75% CHEMBL4082631
DRD4_HUMAN dopamine receptor D4 -7.94 -8.17 N/A 40.82% CHEMBL334472
EDN1_HUMAN endothelin 1 -6.50 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -8.60 -8.40 -8.37 57.83% CHEMBL57150
FABP5_HUMAN fatty acid binding protein 5 -7.92 -4.84 -5.16 23.62% CHEMBL212860
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -7.49 N/A N/A 30.00% CHEMBL1975923
GLRA3_HUMAN glycine receptor alpha 3 -8.15 -7.72 -8.32 13.97% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -8.95 N/A N/A 13.97% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -7.01 -5.23 -5.53 34.58% CHEMBL1289626
HPGDS_HUMAN hematopoietic prostaglandin D synthase -6.88 -6.25 -6.27 20.00% CHEMBL3698265
HRH1_HUMAN histamine receptor H1 -5.70 N/A N/A 41.90% CHEMBL1101
HYES_HUMAN epoxide hydrolase 2 -7.98 -7.95 -7.43 36.84% CHEMBL1358
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -6.47 N/A N/A 41.58% CHEMBL3318321
MDR1_HUMAN ATP binding cassette subfamily B member 1 -7.94 -7.61 N/A 42.53% CHEMBL1405
MIF_HUMAN macrophage migration inhibitory factor -6.98 -7.05 -7.15 27.94% CHEMBL3797437
MK01_HUMAN mitogen-activated protein kinase 1 -6.19 -6.98 -7.37 38.03% CHEMBL2012519
MK03_HUMAN mitogen-activated protein kinase 3 -7.00 -7.41 -6.93 29.56% CHEMBL555017
MTOR_HUMAN mechanistic target of rapamycin kinase -8.59 -8.32 -7.83 34.17% CHEMBL1797428
NEP_HUMAN membrane metalloendopeptidase -6.92 -7.08 -6.55 29.81% CHEMBL4070297
NK1R_HUMAN tachykinin receptor 1 -7.85 -7.40 -7.24 40.98% CHEMBL2114439
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -7.11 -6.76 -7.47 25.44% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -7.17 -8.61 -7.43 36.63% CHEMBL3357784
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -7.12 -6.91 -7.47 23.19% CHEMBL419399
NOS1_HUMAN nitric oxide synthase 1 -8.59 -8.54 -7.26 28.57% CHEMBL85613
NOS2_HUMAN nitric oxide synthase 2 -6.36 -8.10 -8.13 28.26% CHEMBL450583
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -7.60 -8.01 -7.89 34.92% CHEMBL1978371
OPRD_HUMAN opioid receptor delta 1 -6.66 -6.42 -6.91 45.54% CHEMBL437949
OPRK_HUMAN opioid receptor kappa 1 -8.78 -8.42 -7.36 45.54% CHEMBL437949
OPRM_MOUSE Mu-type opioid receptor -7.71 -9.02 N/A 40.62% CHEMBL151341
OPRX_HUMAN opioid related nociceptin receptor 1 -7.18 -7.31 -7.18 37.50% CHEMBL3785718
P2RX3_HUMAN purinergic receptor P2X 3 -5.28 -5.11 -5.54 28.66% CHEMBL3669726
P2Y12_HUMAN purinergic receptor P2Y12 -6.78 -6.77 -6.21 22.60% CHEMBL88799
PAR1_HUMAN coagulation factor II thrombin receptor -8.41 N/A N/A 30.00% CHEMBL231695
PDE4B_HUMAN phosphodiesterase 4B -7.07 -7.79 -7.28 34.90% CHEMBL313041
PDE5A_HUMAN phosphodiesterase 5A -7.21 -7.35 -7.49 27.33% CHEMBL193059
PERM_HUMAN myeloperoxidase -7.33 -7.59 -7.38 40.66% CHEMBL3920217
PGH1_SHEEP Prostaglandin G/H synthase 1 -5.63 -8.33 -7.18 40.50% CHEMBL229957
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -5.76 -6.08 -7.24 56.32% CHEMBL1242095
PPAP_HUMAN acid phosphatase 3 -7.33 N/A N/A 20.80% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -6.82 -6.83 -6.79 63.86% CHEMBL500257
PRGR_HUMAN progesterone receptor -8.98 -8.94 -8.83 59.18% CHEMBL48746
PTGES_HUMAN prostaglandin E synthase -6.42 N/A N/A 58.00% CHEMBL3608370
SC6A4_HUMAN solute carrier family 6 member 4 -8.62 -8.20 -9.02 39.78% CHEMBL691
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -6.79 N/A N/A 34.91% CHEMBL381488
TLR4_HUMAN toll like receptor 4 -7.76 -7.70 -7.41 27.27% CHEMBL4071705
TNFA_HUMAN tumor necrosis factor -7.48 N/A N/A 29.69% CHEMBL2337619
TRBM_HUMAN thrombomodulin -7.28 -6.82 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -5.93 -6.18 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -8.67 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -7.87 N/A N/A 36.21% CHEMBL2057859
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -6.27 -6.63 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.62 -7.19 N/A 29.87% CHEMBL3664218
TRXR1_HUMAN thioredoxin reductase 1 -7.49 -7.52 -5.98 N/A N/A
TRY1_HUMAN serine protease 1 -5.86 N/A N/A 32.03% CHEMBL440176