NB001 #212 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 -6.55 -6.33 -6.72 35.53% CHEMBL146991
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -6.74 -6.47 N/A 43.87% CHEMBL86719
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -6.76 -6.38 -6.89 48.37% CHEMBL3913293
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -6.30 -5.94 N/A 58.49% CHEMBL594489
AA1R_HUMAN adenosine A1 receptor -5.63 -5.73 -6.62 60.40% CHEMBL48278
AA2AR_HUMAN adenosine A2a receptor -6.08 -6.41 -6.44 58.33% CHEMBL446264
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -6.99 -7.12 -7.48 35.62% CHEMBL154972
ACE_HUMAN angiotensin I converting enzyme -6.33 -6.27 -6.22 30.28% CHEMBL79212
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -4.88 N/A N/A 21.54% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -6.33 -7.02 -6.66 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.38 -6.71 N/A 43.38% CHEMBL611476
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.14 -6.67 N/A 42.73% CHEMBL2146597
ADRB2_HUMAN adrenoceptor beta 2 -6.83 -6.78 -7.12 36.13% CHEMBL462313
AGTR2_HUMAN angiotensin II receptor type 2 -6.27 -6.21 -5.84 33.85% CHEMBL376286
ALDR_HUMAN aldo-keto reductase family 1 member B -6.74 -6.63 -7.62 26.90% CHEMBL1405739
AMPN_HUMAN alanyl aminopeptidase, membrane -6.52 -6.44 -6.29 26.50% CHEMBL3805487
AOFA_HUMAN monoamine oxidase A -6.93 -7.26 -7.21 30.57% CHEMBL602466
AOFB_HUMAN monoamine oxidase B -6.89 -7.32 -7.04 38.75% CHEMBL239230
BACE1_HUMAN beta-secretase 1 -5.62 -6.05 -6.15 32.09% CHEMBL2047227
CAH2_HUMAN carbonic anhydrase 2 -6.81 -6.72 -6.15 36.46% CHEMBL2023718
CASP1_HUMAN caspase 1 -4.39 -5.65 -5.31 47.93% CHEMBL1221646
CDK5_HUMAN cyclin dependent kinase 5 -6.40 -6.77 -6.64 48.18% CHEMBL3085251
CHLE_HUMAN butyrylcholinesterase -6.83 -6.51 -6.71 33.87% CHEMBL40302
CNR1_HUMAN cannabinoid receptor 1 -6.17 -6.85 -7.03 40.23% CHEMBL562668
CNR2_HUMAN cannabinoid receptor 2 -6.75 -6.34 N/A 47.27% CHEMBL2057805
COLI_HUMAN proopiomelanocortin -6.30 -6.43 -5.47 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.14 -5.03 -5.28 23.29% CHEMBL3954860
CRP_HUMAN C-reactive protein -5.17 -5.35 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.00 N/A N/A 19.33% CHEMBL3609011
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -5.71 -6.05 -5.40 38.10% CHEMBL853
DRD2_HUMAN dopamine receptor D2 -6.02 N/A N/A 43.48% CHEMBL3423329
DRD3_HUMAN dopamine receptor D3 -6.18 N/A N/A 40.00% CHEMBL219916
DRD4_HUMAN dopamine receptor D4 -6.51 -6.48 N/A 41.73% CHEMBL51
EDN1_HUMAN endothelin 1 -6.10 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -6.60 -6.20 -6.29 33.79% CHEMBL1318094
FABP5_HUMAN fatty acid binding protein 5 -5.64 -4.50 -4.80 23.39% CHEMBL3941588
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -6.41 N/A N/A 44.81% CHEMBL3823849
GLRA3_HUMAN glycine receptor alpha 3 -6.33 -6.67 -6.28 15.53% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -6.81 N/A N/A 15.53% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 -7.32 -7.42 -7.07 33.59% CHEMBL3914940
HPGDS_HUMAN hematopoietic prostaglandin D synthase -6.49 -5.58 -6.32 42.59% CHEMBL3134492
HRH1_HUMAN histamine receptor H1 -6.91 N/A N/A 41.73% CHEMBL51
HYES_HUMAN epoxide hydrolase 2 -6.93 -6.99 -6.60 35.34% CHEMBL2392751
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -5.82 N/A N/A 39.17% CHEMBL231036
MDR1_HUMAN ATP binding cassette subfamily B member 1 -6.00 -5.76 N/A 40.87% CHEMBL2074609
MIF_HUMAN macrophage migration inhibitory factor -5.64 -5.70 -5.58 20.34% CHEMBL554271
MK01_HUMAN mitogen-activated protein kinase 1 -5.83 -5.92 -5.87 40.48% CHEMBL1996791
MK03_HUMAN mitogen-activated protein kinase 3 -6.22 -6.45 -5.97 38.46% CHEMBL1950289
MTOR_HUMAN mechanistic target of rapamycin kinase -6.09 -6.17 -5.73 43.40% CHEMBL593768
NEP_HUMAN membrane metalloendopeptidase -6.05 -6.08 -6.53 27.65% CHEMBL3677670
NK1R_HUMAN tachykinin receptor 1 -5.67 -6.36 -5.98 41.38% CHEMBL2313631
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -7.38 -7.06 -6.79 13.12% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -6.92 -7.50 -7.09 37.01% CHEMBL218068
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -7.34 -7.09 -6.79 27.86% CHEMBL419399
NOS1_HUMAN nitric oxide synthase 1 -7.16 -6.87 -8.20 30.48% CHEMBL3216999
NOS2_HUMAN nitric oxide synthase 2 -7.47 -8.04 -7.33 33.33% CHEMBL220559
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -6.59 -6.67 -6.76 41.22% CHEMBL1997617
OPRD_HUMAN opioid receptor delta 1 -5.76 -5.23 -5.50 42.52% CHEMBL1650847
OPRK_HUMAN opioid receptor kappa 1 -6.05 -6.38 -6.38 46.26% CHEMBL3394007
OPRM_MOUSE Mu-type opioid receptor -6.42 -6.31 N/A 26.92% CHEMBL440765
OPRX_HUMAN opioid related nociceptin receptor 1 -5.46 -5.72 -5.88 47.47% CHEMBL480619
P2RX3_HUMAN purinergic receptor P2X 3 -4.81 -4.53 -4.96 35.63% CHEMBL14249
P2Y12_HUMAN purinergic receptor P2Y12 -6.13 -7.22 -7.32 36.99% CHEMBL92363
PAR1_HUMAN coagulation factor II thrombin receptor -6.57 N/A N/A 34.84% CHEMBL95632
PDE4B_HUMAN phosphodiesterase 4B -6.19 -6.88 -6.58 40.74% CHEMBL178460
PDE5A_HUMAN phosphodiesterase 5A -6.08 -6.68 -6.37 41.48% CHEMBL142782
PERM_HUMAN myeloperoxidase -6.76 -6.94 -6.73 45.08% CHEMBL1409565
PGH1_SHEEP Prostaglandin G/H synthase 1 -7.15 -7.09 -6.70 25.71% CHEMBL9197
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -6.88 -6.59 -7.14 26.97% CHEMBL2236578
PPAP_HUMAN acid phosphatase 3 -6.32 N/A N/A 8.96% CHEMBL501717
PPARG_HUMAN peroxisome proliferator activated receptor gamma -6.39 -7.13 -5.97 35.15% CHEMBL603424
PRGR_HUMAN progesterone receptor -6.91 -6.81 -6.75 36.61% CHEMBL2235632
PTGES_HUMAN prostaglandin E synthase -6.21 N/A N/A 35.29% CHEMBL3770411
SC6A4_HUMAN solute carrier family 6 member 4 -6.71 -6.77 -6.76 48.45% CHEMBL2207492
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -5.87 N/A N/A 32.24% CHEMBL252239
TLR4_HUMAN toll like receptor 4 -5.52 -5.35 -6.19 31.40% CHEMBL2386454
TNFA_HUMAN tumor necrosis factor -5.42 N/A N/A 31.64% CHEMBL4110900
TRBM_HUMAN thrombomodulin -6.88 -6.38 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -5.36 -5.31 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -6.48 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -7.19 N/A N/A 27.84% CHEMBL209347
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -6.22 -5.96 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -5.19 -5.86 N/A 22.67% CHEMBL3692338
TRXR1_HUMAN thioredoxin reductase 1 -7.06 -6.98 -4.73 N/A N/A
TRY1_HUMAN serine protease 1 -5.96 N/A N/A 35.29% CHEMBL39475