Captagon #30 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 -8.34 -8.78 -7.20 68.61% CHEMBL338611 Active 97.13%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.68 -8.69 -8.93 46.15% CHEMBL318901 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -8.55 -8.40 -8.55 57.34% CHEMBL51 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -8.27 -9.00 -8.53 32.79% CHEMBL103479 Inactive 64.99%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -8.76 -9.03 -9.34 36.21% CHEMBL320198 Active 51.48%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.05 -9.21 N/A 73.08% CHEMBL2237153 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.91 -9.07 -9.05 57.34% CHEMBL51 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.76 -8.88 N/A 58.57% CHEMBL1200406 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -9.00 -9.29 -8.30 43.54% CHEMBL553658 Active 52.61%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -8.84 -8.20 -8.26 37.72% CHEMBL199824 Inactive 73.17%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.61 -8.20 -8.92 58.90% CHEMBL3360997 Active 91.46%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -8.30 -8.57 -8.82 69.12% CHEMBL3361003 Active 95.77%
AA1R_HUMAN adenosine A1 receptor -7.65 -8.57 -7.38 82.11% CHEMBL591235 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -8.28 -8.00 -8.55 64.60% CHEMBL446679 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -8.00 -8.88 -7.80 73.91% CHEMBL67228 Active 93.67%
AA3R_HUMAN adenosine A3 receptor -8.38 -6.32 -7.89 65.96% CHEMBL464437 Active 79.92%
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.49 -3.82 N/A 68.61% CHEMBL338611 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -8.71 -8.14 -8.47 58.57% CHEMBL1200406 Active 77.29%
ACM3_HUMAN cholinergic receptor muscarinic 3 -8.30 -9.32 -9.34 58.57% CHEMBL1200406 Active 77.77%
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.74 -7.57 N/A 58.57% CHEMBL1200406 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -9.18 -8.73 -9.30 58.57% CHEMBL1200406 Active 67.33%
ACTHR_HUMAN melanocortin 2 receptor -9.88 -9.37 -8.33 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -7.98 -8.52 -7.98 49.08% CHEMBL219719 Inactive 54.75%
ADA2A_HUMAN adrenoceptor alpha 2A -7.79 -8.61 -2.85 43.26% CHEMBL40650 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -9.56 -9.02 -9.43 43.71% CHEMBL51433 Active 75.08%
ADA2C_HUMAN adrenoceptor alpha 2C -4.49 -2.75 -2.53 43.26% CHEMBL40650 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -9.20 -8.39 -8.65 48.78% CHEMBL1814267 Active 52.89%
ADRB2_HUMAN adrenoceptor beta 2 -9.07 -9.73 -9.31 55.19% CHEMBL462313 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -9.24 -10.15 -9.02 55.03% CHEMBL3764950 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -8.83 -8.81 -8.36 43.45% CHEMBL219840 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -7.95 -8.72 -8.72 35.40% CHEMBL2392354 Inactive 72.12%
CALCR_HUMAN calcitonin receptor -7.52 -7.72 -7.94 30.00% CHEMBL2369907 Inactive 98.24%
CCKAR_HUMAN cholecystokinin A receptor -8.01 -8.76 -9.07 32.55% CHEMBL1172252 Inactive 83.94%
CCR1_HUMAN C-C motif chemokine receptor 1 -7.81 -9.36 -7.61 37.20% CHEMBL69411 Inactive 91.52%
CCR2_HUMAN C-C motif chemokine receptor 2 -8.19 -7.82 -7.38 37.80% CHEMBL1951773 Inactive 78.92%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.60 -8.01 -8.71 42.21% CHEMBL232840 Inactive 64.33%
CCR5_HUMAN C-C motif chemokine receptor 5 -8.13 -8.17 -8.23 51.37% CHEMBL195199 Inactive 85.40%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -8.44 -10.03 -9.08 28.98% CHEMBL423333 Inactive 84.96%
CNR1_HUMAN cannabinoid receptor 1 -7.62 -9.18 -10.14 41.83% CHEMBL527071 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -9.35 -9.55 N/A 55.40% CHEMBL4096536 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.22 N/A N/A 24.70% CHEMBL3609011 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.46 -7.94 -7.28 33.51% CHEMBL403877 Inactive 68.35%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.80 -8.30 -9.65 46.58% CHEMBL402855 Inactive 68.87%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.47 -7.00 -7.18 35.22% CHEMBL366033 N/A N/A
DRD1_HUMAN dopamine receptor D1 -9.04 -7.99 -9.13 45.20% CHEMBL370364 Active 61.80%
DRD2_HUMAN dopamine receptor D2 -7.24 N/A N/A 68.61% CHEMBL338611 N/A N/A
DRD3_HUMAN dopamine receptor D3 -8.36 N/A N/A 56.21% CHEMBL3797209 N/A N/A
DRD4_HUMAN dopamine receptor D4 -9.25 -9.15 N/A 57.34% CHEMBL51 N/A N/A
DRD5_HUMAN dopamine receptor D5 -9.29 -9.71 -9.55 38.78% CHEMBL238718 Active 61.30%
EDNRA_HUMAN endothelin receptor type A -7.57 -7.66 -7.63 36.31% CHEMBL343379 Inactive 57.33%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -3.75 -6.84 -2.12 20.71% CHEMBL392394 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -8.06 -7.98 -6.90 38.80% CHEMBL36436 Inactive 73.20%
GRM1_HUMAN glutamate metabotropic receptor 1 -8.41 -9.91 -8.28 40.11% CHEMBL248052 Inactive 56.88%
GRM2_HUMAN glutamate metabotropic receptor 2 -5.90 -6.65 -5.78 44.59% CHEMBL3804903 Active 63.41%
GRM3_HUMAN glutamate metabotropic receptor 3 -6.79 -8.01 -8.19 39.31% CHEMBL3401177 Inactive 84.65%
GRM4_HUMAN glutamate metabotropic receptor 4 -3.21 -0.86 -1.60 28.57% CHEMBL2023624 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -8.53 -7.93 -7.27 36.18% CHEMBL4072424 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -6.40 -7.86 -6.20 25.74% CHEMBL1585091 Inactive 92.97%
GRM7_HUMAN glutamate metabotropic receptor 7 -4.30 -4.09 -4.49 27.41% CHEMBL3561038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -1.40 -2.73 -2.55 27.41% CHEMBL3561038 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -9.52 N/A N/A 58.57% CHEMBL1200406 N/A N/A
HRH2_HUMAN histamine receptor H2 -8.92 -8.38 -9.09 37.72% CHEMBL199824 Active 98.27%
HRH3_HUMAN histamine receptor H3 -8.97 -8.18 -7.86 48.37% CHEMBL3331144 Active 79.26%
HRH4_HUMAN histamine receptor H4 -8.81 -8.26 -8.34 36.60% CHEMBL4083336 Inactive 67.48%
MC3R_HUMAN melanocortin 3 receptor -8.66 -8.47 -8.18 38.26% CHEMBL272099 Inactive 62.48%
MC4R_HUMAN melanocortin 4 receptor -7.16 -5.91 -7.26 41.62% CHEMBL4108637 Inactive 78.43%
MC5R_HUMAN melanocortin 5 receptor -6.73 -8.89 -6.98 36.32% CHEMBL1161313 Inactive 64.99%
MSHR_HUMAN melanocortin 1 receptor -8.62 -7.77 -8.81 36.11% CHEMBL180937 Inactive 70.38%
NK1R_HUMAN tachykinin receptor 1 -8.21 -8.28 -7.63 47.53% CHEMBL440465 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -7.60 -8.30 -7.86 49.32% CHEMBL71704 Inactive 97.61%
NPBW1_HUMAN neuropeptides B and W receptor 1 -7.35 -8.01 -8.34 29.33% CHEMBL1968640 Inactive 91.46%
NPFF1_HUMAN neuropeptide FF receptor 1 -7.63 -7.52 -7.45 33.53% CHEMBL2208296 Inactive 87.81%
NPSR1_HUMAN neuropeptide S receptor 1 -8.14 -9.30 -8.76 33.53% CHEMBL1800088 Inactive 67.01%
NPY1R_HUMAN neuropeptide Y receptor Y1 -9.65 -8.72 -8.04 37.79% CHEMBL421770 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -7.73 -7.99 -7.30 33.99% CHEMBL3578010 Inactive 96.58%
NPY4R_HUMAN neuropeptide Y receptor Y4 -8.15 -7.84 -8.03 33.51% CHEMBL2440191 Inactive 50.85%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.22 -7.72 -7.87 39.78% CHEMBL298037 Inactive 69.09%
OPRD_HUMAN opioid receptor delta 1 -7.16 -6.47 -6.57 51.53% CHEMBL493973 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -8.86 -8.67 -8.81 50.33% CHEMBL4112000 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -8.34 -7.53 -8.16 49.64% CHEMBL1423 Inactive 71.31%
OPRX_HUMAN opioid related nociceptin receptor 1 -7.72 -7.47 -7.68 54.84% CHEMBL2088035 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -8.58 -7.83 -8.33 40.94% CHEMBL345902 Active 61.30%
TAAR1_HUMAN trace amine associated receptor 1 -9.00 -9.20 -9.23 54.01% CHEMBL1449587 Inactive 52.31%
TSHR_HUMAN thyroid stimulating hormone receptor -8.66 -9.75 -8.90 31.09% CHEMBL1357440 Inactive 97.54%
V1AR_HUMAN arginine vasopressin receptor 1A -8.27 -7.73 -8.94 41.57% CHEMBL3416878 Inactive 81.70%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -8.62 -8.13 -8.46 33.00% CHEMBL3884667 N/A N/A