MITRAGYNINE #64 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 -8.12 -6.56 -8.01 56.83% CHEMBL163884 Inactive 54.77%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.09 -8.96 -7.75 56.12% CHEMBL111107 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -8.15 -6.98 -8.14 49.73% CHEMBL267615 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -7.24 -8.12 -7.60 49.73% CHEMBL267615 Active 60.98%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -9.24 -9.59 -9.26 38.81% CHEMBL263700 Inactive 56.59%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.74 -7.93 N/A 49.73% CHEMBL267615 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.59 -8.88 -9.03 76.88% CHEMBL15245 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.85 -8.33 N/A 53.14% CHEMBL553794 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -8.59 -8.43 -7.76 47.69% CHEMBL3901228 Inactive 54.98%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -7.09 -6.91 -7.16 54.77% CHEMBL126823 Active 67.36%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -7.46 -7.18 -7.85 76.88% CHEMBL15245 Active 98.37%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -8.10 -8.85 -8.76 65.73% CHEMBL308461 Active 94.04%
AA1R_HUMAN adenosine A1 receptor -8.06 -8.96 -5.52 41.31% CHEMBL411329 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -7.80 -7.73 -7.29 51.04% CHEMBL3929822 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -8.94 -9.45 -8.05 39.39% CHEMBL3317576 Inactive 62.35%
AA3R_HUMAN adenosine A3 receptor -4.82 -2.33 -4.83 76.88% CHEMBL15245 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -6.45 7.35 N/A 47.31% CHEMBL318995 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -8.76 -8.07 -5.44 52.65% CHEMBL326450 Active 67.22%
ACM3_HUMAN cholinergic receptor muscarinic 3 -8.73 -8.83 -7.80 54.29% CHEMBL105160 Active 74.09%
ACM4_HUMAN cholinergic receptor muscarinic 4 -6.11 -5.18 N/A 54.29% CHEMBL105160 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -5.85 -6.90 -8.15 46.88% CHEMBL106219 Active 72.90%
ACTHR_HUMAN melanocortin 2 receptor -8.11 -8.28 -8.13 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.27 -7.70 -8.58 76.88% CHEMBL15245 Active 94.27%
ADA2A_HUMAN adrenoceptor alpha 2A 2.19 1.16 3.47 80.50% CHEMBL122404 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -8.20 -8.69 -6.84 80.50% CHEMBL122404 Active 95.44%
ADA2C_HUMAN adrenoceptor alpha 2C 0.51 1.86 1.98 80.50% CHEMBL122404 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -9.33 -7.49 -7.98 44.14% CHEMBL463182 Inactive 58.96%
ADRB2_HUMAN adrenoceptor beta 2 -7.01 -7.83 -9.31 45.75% CHEMBL236042 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -8.96 -9.14 -8.94 45.67% CHEMBL462780 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -7.83 -8.08 -7.63 43.59% CHEMBL154057 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -7.52 -8.06 -7.58 44.18% CHEMBL559565 Inactive 69.00%
CALCR_HUMAN calcitonin receptor -7.28 -8.38 -8.29 33.71% CHEMBL2369897 Inactive 98.04%
CCKAR_HUMAN cholecystokinin A receptor -8.03 -7.76 -8.22 50.39% CHEMBL2372623 Inactive 89.84%
CCR1_HUMAN C-C motif chemokine receptor 1 -7.16 -8.49 -7.21 49.77% CHEMBL308209 Inactive 92.99%
CCR2_HUMAN C-C motif chemokine receptor 2 -7.98 -7.76 -7.07 44.75% CHEMBL3263271 Inactive 76.06%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.85 -7.47 -7.52 40.94% CHEMBL2435852 Inactive 63.81%
CCR5_HUMAN C-C motif chemokine receptor 5 -8.03 -7.45 -7.58 46.02% CHEMBL1628706 Inactive 95.94%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -7.87 -8.03 -9.40 45.11% CHEMBL3597626 Active 58.06%
CNR1_HUMAN cannabinoid receptor 1 -7.13 -7.40 -9.05 57.20% CHEMBL445022 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -9.12 -9.73 N/A 52.78% CHEMBL2029729 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 0.28 N/A N/A 32.45% CHEMBL556862 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -7.80 -7.64 -7.23 40.83% CHEMBL404088 Inactive 50.81%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.22 -8.17 -8.44 43.87% CHEMBL496564 Inactive 89.23%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.73 -7.27 -8.43 56.59% CHEMBL1644072 N/A N/A
DRD1_HUMAN dopamine receptor D1 -8.08 -8.31 -8.80 54.55% CHEMBL287513 Active 77.97%
DRD2_HUMAN dopamine receptor D2 -7.31 N/A N/A 76.88% CHEMBL15245 N/A N/A
DRD3_HUMAN dopamine receptor D3 -7.75 N/A N/A 52.86% CHEMBL136711 N/A N/A
DRD4_HUMAN dopamine receptor D4 -7.69 -8.92 N/A 45.75% CHEMBL310867 N/A N/A
DRD5_HUMAN dopamine receptor D5 -6.24 -6.55 -8.20 50.26% CHEMBL201584 Active 67.11%
EDNRA_HUMAN endothelin receptor type A -7.05 -7.88 -7.92 47.66% CHEMBL320631 Inactive 51.52%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 5.90 6.08 10.52 22.41% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -8.02 -7.06 -6.94 50.63% CHEMBL293026 Inactive 65.45%
GRM1_HUMAN glutamate metabotropic receptor 1 -7.65 -7.57 -5.40 44.67% CHEMBL178741 Inactive 53.45%
GRM2_HUMAN glutamate metabotropic receptor 2 2.25 3.68 5.23 42.80% CHEMBL3901998 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 2.90 -0.76 -2.97 34.51% CHEMBL3885379 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 5.93 6.05 5.91 36.80% CHEMBL1921962 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -4.44 -1.46 -2.39 49.37% CHEMBL3672913 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 2.04 -0.16 2.63 28.52% CHEMBL1585091 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 3.39 3.35 5.68 33.20% CHEMBL3560146 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 0.96 0.27 0.38 33.20% CHEMBL3560146 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -4.68 N/A N/A 49.52% CHEMBL1783966 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.03 -8.57 -8.15 41.48% CHEMBL3104091 Active 98.59%
HRH3_HUMAN histamine receptor H3 -7.05 -8.66 -8.59 50.23% CHEMBL247933 Active 68.73%
HRH4_HUMAN histamine receptor H4 -8.39 -7.91 -7.71 41.55% CHEMBL3236550 Active 57.06%
MC3R_HUMAN melanocortin 3 receptor -7.31 -7.44 -6.86 50.22% CHEMBL3421676 Inactive 50.27%
MC4R_HUMAN melanocortin 4 receptor -6.93 -6.70 -6.99 50.39% CHEMBL1172249 Inactive 65.49%
MC5R_HUMAN melanocortin 5 receptor -5.17 -7.43 -4.49 50.22% CHEMBL3421676 Active 51.09%
MSHR_HUMAN melanocortin 1 receptor -7.46 -7.78 -7.25 50.21% CHEMBL3421678 Inactive 57.68%
NK1R_HUMAN tachykinin receptor 1 -8.32 -7.64 -7.35 50.45% CHEMBL1766207 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -7.82 -8.70 -8.63 46.15% CHEMBL1683150 Inactive 94.59%
NPBW1_HUMAN neuropeptides B and W receptor 1 -7.55 -7.67 -8.66 40.40% CHEMBL1705499 Inactive 83.21%
NPFF1_HUMAN neuropeptide FF receptor 1 -7.91 -7.70 -7.97 44.49% CHEMBL3422516 Inactive 68.08%
NPSR1_HUMAN neuropeptide S receptor 1 -8.12 -8.35 -8.99 36.95% CHEMBL1801360 Inactive 58.59%
NPY1R_HUMAN neuropeptide Y receptor Y1 -9.24 -8.34 -8.14 46.10% CHEMBL204050 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -8.23 -8.22 -7.69 42.08% CHEMBL2371910 Inactive 87.85%
NPY4R_HUMAN neuropeptide Y receptor Y4 -8.69 -8.67 -8.47 42.08% CHEMBL2371910 Inactive 84.60%
NPY5R_HUMAN neuropeptide Y receptor Y5 -7.98 -7.57 -7.77 45.18% CHEMBL3084877 Inactive 61.87%
OPRD_HUMAN opioid receptor delta 1 -7.08 -6.88 -6.92 100.00% CHEMBL299031 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -9.54 -7.85 -8.41 57.71% CHEMBL226113 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -8.24 -7.20 -7.63 64.11% CHEMBL3892859 Active 59.23%
OPRX_HUMAN opioid related nociceptin receptor 1 -7.41 -7.16 -7.36 64.02% CHEMBL3326229 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -8.20 -7.24 -8.47 43.70% CHEMBL319384 Active 76.78%
TAAR1_HUMAN trace amine associated receptor 1 -9.33 -9.32 -9.25 44.29% CHEMBL1872433 Inactive 54.03%
TSHR_HUMAN thyroid stimulating hormone receptor -8.08 -9.91 -7.15 33.47% CHEMBL1589735 Inactive 93.68%
V1AR_HUMAN arginine vasopressin receptor 1A -7.94 -7.31 -7.92 44.11% CHEMBL250974 Inactive 77.24%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -7.52 -8.06 -8.72 33.72% CHEMBL3884667 N/A N/A