sinomenine #467 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

Protein Symbol Approved Name Docking Scores Similarity
Score
Best Match Prediction
Model 1 Model 2 Model 3 Result Confidence Level
5HT1A_HUMAN 5-hydroxytryptamine receptor 1A -8.05 -7.34 -8.59 55.26% CHEMBL160096 Active 54.08%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.21 -8.38 -7.35 50.96% CHEMBL29951 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -8.32 -6.18 -7.29 50.96% CHEMBL29951 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -7.80 -6.80 -6.54 32.58% CHEMBL137781 Active 55.96%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -8.81 -8.62 -8.78 29.85% CHEMBL3616488 Inactive 62.69%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.05 -8.02 N/A 53.99% CHEMBL4206824 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.57 -8.91 -7.81 45.83% CHEMBL4472703 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -7.86 -7.39 N/A 46.67% CHEMBL155388 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -8.38 -8.74 -7.64 40.33% CHEMBL4580044 Inactive 64.98%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -8.71 -7.70 -8.24 51.02% CHEMBL278751 Inactive 54.96%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -7.70 -7.71 -8.24 40.10% CHEMBL464099 Active 65.92%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -9.01 -8.52 -7.52 47.34% CHEMBL70048 Active 64.17%
AA1R_HUMAN adenosine A1 receptor -7.49 -8.42 -5.99 37.70% CHEMBL1269107 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -6.15 -6.55 -7.67 42.25% CHEMBL539454 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -8.23 -8.43 -8.43 30.08% CHEMBL432273 Inactive 65.72%
AA3R_HUMAN adenosine A3 receptor -4.48 -3.02 -7.86 30.93% CHEMBL3601563 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.85 9.21 N/A 43.68% CHEMBL148450 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -9.15 -8.81 -8.19 45.70% CHEMBL4085150 Active 64.57%
ACM3_HUMAN cholinergic receptor muscarinic 3 -8.97 -9.89 -9.13 46.00% CHEMBL4075227 Active 53.67%
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.76 -6.03 N/A 43.23% CHEMBL1101 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -8.90 -8.22 -7.34 40.10% CHEMBL2312378 Active 77.59%
ACTHR_HUMAN melanocortin 2 receptor -8.94 -8.79 -8.84 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.25 -7.58 -8.63 49.32% CHEMBL299031 Active 58.87%
ADA2A_HUMAN adrenoceptor alpha 2A -3.46 -7.21 0.64 52.83% CHEMBL50588 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -7.83 -3.39 -5.98 45.21% CHEMBL4513786 Inactive 99.99%
ADA2C_HUMAN adrenoceptor alpha 2C 3.70 3.87 2.65 52.83% CHEMBL50588 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -8.03 -8.03 -8.27 44.07% CHEMBL498531 Active 57.38%
ADRB2_HUMAN adrenoceptor beta 2 -6.41 -7.12 -9.02 45.30% CHEMBL1714856 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -7.96 -7.07 -7.94 45.09% CHEMBL498305 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -7.45 -7.84 -7.62 47.76% CHEMBL154057 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -8.92 -9.79 -9.13 34.55% CHEMBL2105864 Inactive 66.12%
CALCR_HUMAN calcitonin receptor -7.60 -7.92 -7.81 33.18% CHEMBL2369895 Inactive 98.18%
CCKAR_HUMAN cholecystokinin A receptor -8.27 -7.75 -8.51 33.04% CHEMBL4467402 Inactive 95.34%
CCR1_HUMAN C-C motif chemokine receptor 1 -6.95 -7.51 -7.23 38.04% CHEMBL33277 Inactive 96.06%
CCR2_HUMAN C-C motif chemokine receptor 2 -7.90 -8.24 -7.67 46.56% CHEMBL3417216 Inactive 51.40%
CCR4_HUMAN C-C motif chemokine receptor 4 -6.48 -6.32 -6.45 32.95% CHEMBL1621896 Inactive 79.69%
CCR5_HUMAN C-C motif chemokine receptor 5 -7.88 -7.77 -7.95 43.01% CHEMBL368183 Inactive 95.15%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -7.66 -8.07 -8.96 32.73% CHEMBL3597526 Inactive 91.21%
CNR1_HUMAN cannabinoid receptor 1 -7.83 -8.11 -7.13 55.03% CHEMBL344623 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -9.15 -8.75 N/A 53.14% CHEMBL4089791 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.89 N/A N/A 31.25% CHEMBL220182 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -7.97 -6.96 -7.57 36.41% CHEMBL3645131 Inactive 67.92%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.50 -8.28 -8.14 43.72% CHEMBL3697082 Inactive 90.50%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.30 -6.88 -7.98 45.83% CHEMBL2029611 N/A N/A
DRD1_HUMAN dopamine receptor D1 -7.84 -9.10 -8.54 53.47% CHEMBL405519 Active 87.52%
DRD2_HUMAN dopamine receptor D2 -7.50 N/A N/A 53.47% CHEMBL405519 N/A N/A
DRD3_HUMAN dopamine receptor D3 -8.66 N/A N/A 51.23% CHEMBL170976 N/A N/A
DRD4_HUMAN dopamine receptor D4 -7.97 -8.23 N/A 51.02% CHEMBL27441 N/A N/A
DRD5_HUMAN dopamine receptor D5 -7.73 -7.46 -5.92 46.83% CHEMBL3577346 Inactive 78.44%
EDNRA_HUMAN endothelin receptor type A -7.26 -7.41 -7.65 52.20% CHEMBL323951 Active 66.13%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 3.29 2.83 15.98 21.29% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -7.96 -7.32 -6.42 45.19% CHEMBL452991 Inactive 73.69%
GRM1_HUMAN glutamate metabotropic receptor 1 -8.00 -6.89 -6.61 36.04% CHEMBL2111944 Inactive 62.76%
GRM2_HUMAN glutamate metabotropic receptor 2 -0.94 0.16 -1.07 40.91% CHEMBL341457 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -4.25 -5.46 -4.94 40.91% CHEMBL341457 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 3.16 4.68 4.57 28.98% CHEMBL2063423 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -6.13 1.08 -5.96 38.22% CHEMBL1289626 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -7.17 -6.77 -6.77 22.15% CHEMBL2381641 Inactive 97.25%
GRM7_HUMAN glutamate metabotropic receptor 7 -1.51 2.54 1.01 36.69% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 4.03 3.36 6.28 37.28% CHEMBL97200 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -3.99 N/A N/A 45.20% CHEMBL1277125 N/A N/A
HRH2_HUMAN histamine receptor H2 -8.24 -8.19 -7.88 43.11% CHEMBL490632 Active 96.98%
HRH3_HUMAN histamine receptor H3 -6.53 -9.36 -8.98 48.45% CHEMBL4461203 Active 59.02%
HRH4_HUMAN histamine receptor H4 -8.11 -8.07 -8.62 32.68% CHEMBL4102243 Inactive 62.88%
MC3R_HUMAN melanocortin 3 receptor -7.56 -7.90 -7.33 40.70% CHEMBL192450 Inactive 66.05%
MC4R_HUMAN melanocortin 4 receptor -7.28 -7.18 -7.03 41.59% CHEMBL29693 Inactive 88.22%
MC5R_HUMAN melanocortin 5 receptor -5.49 -5.34 -4.26 41.36% CHEMBL3919100 Active 51.50%
MSHR_HUMAN melanocortin 1 receptor -6.92 -7.40 -8.16 41.28% CHEMBL442537 Inactive 55.63%
NK1R_HUMAN tachykinin receptor 1 -8.46 -8.23 -7.68 50.31% CHEMBL2114439 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -7.72 -8.09 -8.37 41.45% CHEMBL504342 Inactive 98.26%
NPBW1_HUMAN neuropeptides B and W receptor 1 -7.34 -7.66 -8.68 33.48% CHEMBL1940539 Inactive 86.85%
NPFF1_HUMAN neuropeptide FF receptor 1 -8.12 -7.86 -8.12 36.31% CHEMBL4442534 Inactive 68.80%
NPSR1_HUMAN neuropeptide S receptor 1 -7.75 -8.70 -7.98 35.43% CHEMBL1801360 Inactive 64.46%
NPY1R_HUMAN neuropeptide Y receptor Y1 -8.80 -8.71 -8.77 43.71% CHEMBL549377 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -7.61 -7.75 -7.17 37.16% CHEMBL2371908 Inactive 95.58%
NPY4R_HUMAN neuropeptide Y receptor Y4 -8.63 -8.97 -8.43 40.33% CHEMBL4559081 Inactive 90.68%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.04 -8.09 -7.49 51.70% CHEMBL68467 Inactive 58.77%
OPRD_HUMAN opioid receptor delta 1 -7.48 -6.81 -7.62 71.43% CHEMBL110124 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -9.32 -8.55 -7.90 71.43% CHEMBL110124 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -8.08 -7.24 -7.11 74.86% CHEMBL257627 Active 73.43%
OPRX_HUMAN opioid related nociceptin receptor 1 -7.34 -6.86 -7.28 57.84% CHEMBL3262362 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -7.39 -7.15 -7.50 41.04% CHEMBL97120 Active 55.18%
TAAR1_HUMAN trace amine associated receptor 1 -7.25 -8.85 -8.63 47.89% CHEMBL3211097 Inactive 54.08%
TSHR_HUMAN thyroid stimulating hormone receptor -8.98 -9.96 -8.67 36.49% CHEMBL3897841 Inactive 85.52%
V1AR_HUMAN arginine vasopressin receptor 1A -6.99 -7.72 -7.91 41.33% CHEMBL249741 Inactive 93.74%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -7.13 -7.98 -8.52 30.49% CHEMBL4291903 N/A N/A