D9-1 #13 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 -6.99 -6.86 -7.60 29.30% CHEMBL275572 Inactive 81.01%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -7.56 -6.95 -7.31 28.76% CHEMBL1279 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -7.33 -7.28 -6.14 28.76% CHEMBL1279 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -7.26 -7.18 -6.61 25.00% CHEMBL105261 Inactive 56.18%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -6.88 -7.30 -7.03 28.40% CHEMBL102292 Inactive 68.93%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -7.10 -6.92 N/A 30.92% CHEMBL559251 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -6.96 -7.19 -7.35 28.91% CHEMBL474404 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -6.94 -7.18 N/A 28.24% CHEMBL162901 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -7.76 -7.56 -7.15 27.38% CHEMBL401607 Inactive 74.12%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -7.35 -7.18 -7.23 26.52% CHEMBL270840 Inactive 68.51%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -6.98 -6.71 -7.36 27.81% CHEMBL3423339 Inactive 64.41%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -7.31 -7.28 -7.13 29.10% CHEMBL3959209 Inactive 75.50%
AA1R_HUMAN adenosine A1 receptor -7.25 -7.00 -7.79 33.76% CHEMBL364036 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -6.82 -7.51 -7.20 29.66% CHEMBL3093327 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -7.53 -7.76 -6.87 31.21% CHEMBL37243 Inactive 59.92%
AA3R_HUMAN adenosine A3 receptor -7.14 -7.34 -8.13 33.76% CHEMBL364036 Active 52.38%
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.08 -7.23 N/A 27.42% CHEMBL1201353 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -6.91 -7.38 -7.83 27.27% CHEMBL4097258 Inactive 77.75%
ACM3_HUMAN cholinergic receptor muscarinic 3 -7.00 -8.18 -8.23 28.77% CHEMBL207287 Inactive 73.35%
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.47 -7.78 N/A 27.42% CHEMBL1201353 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -7.96 -7.55 -7.87 27.42% CHEMBL1201353 Active 62.73%
ACTHR_HUMAN melanocortin 2 receptor -7.47 -7.22 -7.42 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -6.89 -7.23 -7.21 30.53% CHEMBL511411 Active 55.33%
ADA2A_HUMAN adrenoceptor alpha 2A -7.57 -7.92 -7.15 39.64% CHEMBL260374 Active 85.34%
ADA2B_HUMAN adrenoceptor alpha 2B -7.60 -7.76 -7.22 26.67% CHEMBL85 Inactive 50.72%
ADA2C_HUMAN adrenoceptor alpha 2C -4.90 -4.46 -4.14 39.64% CHEMBL260374 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -7.38 -7.30 -7.18 23.86% CHEMBL1814267 Inactive 50.58%
ADRB2_HUMAN adrenoceptor beta 2 -7.33 -8.19 -7.85 25.83% CHEMBL15988 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -7.01 -7.92 -7.04 27.54% CHEMBL1085929 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -6.73 -6.87 -6.66 30.64% CHEMBL938 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -7.66 -8.17 -7.96 22.22% CHEMBL406291 Inactive 91.23%
CALCR_HUMAN calcitonin receptor -6.70 -6.37 -7.26 21.50% CHEMBL2369907 Inactive 95.85%
CCKAR_HUMAN cholecystokinin A receptor -6.87 -7.03 -7.16 28.31% CHEMBL2372623 Inactive 98.32%
CCR1_HUMAN C-C motif chemokine receptor 1 -7.13 -7.80 -6.93 26.09% CHEMBL358283 Inactive 98.60%
CCR2_HUMAN C-C motif chemokine receptor 2 -6.20 -6.77 -6.21 35.14% CHEMBL1829622 Inactive 96.42%
CCR4_HUMAN C-C motif chemokine receptor 4 -6.69 -7.09 -7.44 20.73% CHEMBL207780 Inactive 85.49%
CCR5_HUMAN C-C motif chemokine receptor 5 -7.12 -6.85 -6.43 33.75% CHEMBL2113088 Inactive 99.56%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -7.35 -7.83 -8.27 22.40% CHEMBL143515 Inactive 95.48%
CNR1_HUMAN cannabinoid receptor 1 -7.20 -7.67 -8.09 33.71% CHEMBL4109469 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -7.55 -7.52 N/A 34.12% CHEMBL3922495 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.75 N/A N/A 18.03% CHEMBL401893 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -7.79 -6.92 -6.47 23.11% CHEMBL272105 Inactive 74.31%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -7.47 -7.54 -7.41 26.01% CHEMBL1077822 Inactive 98.63%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.50 -6.45 -6.67 31.45% CHEMBL3938247 N/A N/A
DRD1_HUMAN dopamine receptor D1 -6.91 -6.94 -7.57 29.67% CHEMBL3697602 Inactive 74.11%
DRD2_HUMAN dopamine receptor D2 -7.44 N/A N/A 31.58% CHEMBL105977 N/A N/A
DRD3_HUMAN dopamine receptor D3 -7.11 N/A N/A 31.58% CHEMBL105977 N/A N/A
DRD4_HUMAN dopamine receptor D4 -7.38 -7.06 N/A 32.09% CHEMBL216794 N/A N/A
DRD5_HUMAN dopamine receptor D5 -7.63 -7.74 -7.63 26.03% CHEMBL216439 Inactive 82.38%
EDNRA_HUMAN endothelin receptor type A -6.64 -6.35 -6.16 28.00% CHEMBL414605 Inactive 83.90%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -7.01 -6.78 -5.94 16.34% CHEMBL392394 Inactive 89.54%
GASR_HUMAN cholecystokinin B receptor -6.64 -7.16 -5.53 31.03% CHEMBL36436 Inactive 82.98%
GRM1_HUMAN glutamate metabotropic receptor 1 -8.11 -8.09 -7.87 24.38% CHEMBL174216 Inactive 79.54%
GRM2_HUMAN glutamate metabotropic receptor 2 -6.90 -7.06 -7.52 29.88% CHEMBL593056 Inactive 75.42%
GRM3_HUMAN glutamate metabotropic receptor 3 -7.59 -8.34 -7.91 22.86% CHEMBL3401177 Inactive 74.32%
GRM4_HUMAN glutamate metabotropic receptor 4 -5.38 -5.51 -4.97 21.20% CHEMBL3560612 Inactive 95.69%
GRM5_HUMAN glutamate metabotropic receptor 5 -7.91 -8.38 -8.40 27.37% CHEMBL1808895 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -7.12 -7.70 -6.82 21.90% CHEMBL2418359 Inactive 98.23%
GRM7_HUMAN glutamate metabotropic receptor 7 -6.67 -6.52 -6.48 21.20% CHEMBL3560612 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -6.64 -6.01 -6.73 21.90% CHEMBL2418359 Inactive 99.39%
HRH1_HUMAN histamine receptor H1 -7.91 N/A N/A 45.95% CHEMBL1096430 N/A N/A
HRH2_HUMAN histamine receptor H2 -8.69 -7.55 -7.73 46.30% CHEMBL443896 Active 97.66%
HRH3_HUMAN histamine receptor H3 -7.11 -7.03 -7.09 52.69% CHEMBL325327 Active 71.45%
HRH4_HUMAN histamine receptor H4 -8.03 -7.70 -7.44 52.69% CHEMBL325327 Active 87.37%
MC3R_HUMAN melanocortin 3 receptor -6.75 -6.75 -5.89 32.20% CHEMBL328117 Inactive 69.88%
MC4R_HUMAN melanocortin 4 receptor -5.77 -5.81 -6.24 33.70% CHEMBL3287339 Inactive 78.21%
MC5R_HUMAN melanocortin 5 receptor -6.05 -7.28 -6.36 31.11% CHEMBL313279 Active 55.16%
MSHR_HUMAN melanocortin 1 receptor -7.80 -6.77 -6.82 32.72% CHEMBL569694 Inactive 62.09%
NK1R_HUMAN tachykinin receptor 1 -7.33 -6.89 -6.77 27.61% CHEMBL393746 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -6.81 -6.89 -6.83 27.10% CHEMBL307338 Inactive 99.26%
NPBW1_HUMAN neuropeptides B and W receptor 1 -6.82 -6.86 -6.52 19.62% CHEMBL1705499 Inactive 96.82%
NPFF1_HUMAN neuropeptide FF receptor 1 -6.45 -6.10 -6.52 27.01% CHEMBL388586 Inactive 84.50%
NPSR1_HUMAN neuropeptide S receptor 1 -6.58 -7.78 -7.44 22.99% CHEMBL1801269 Inactive 85.10%
NPY1R_HUMAN neuropeptide Y receptor Y1 -7.21 -7.59 -7.15 28.65% CHEMBL428017 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -6.59 -6.53 -6.47 31.14% CHEMBL4070864 Inactive 69.15%
NPY4R_HUMAN neuropeptide Y receptor Y4 -7.04 -6.64 -6.70 30.86% CHEMBL2440191 Active 92.04%
NPY5R_HUMAN neuropeptide Y receptor Y5 -6.23 -6.16 -6.69 27.84% CHEMBL2440182 Inactive 82.17%
OPRD_HUMAN opioid receptor delta 1 -6.48 -5.78 -6.26 50.00% CHEMBL437372 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -7.38 -7.52 -6.91 32.62% CHEMBL198238 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -7.15 -7.12 -7.01 50.00% CHEMBL437372 Inactive 72.27%
OPRX_HUMAN opioid related nociceptin receptor 1 -5.91 -6.28 -6.43 29.49% CHEMBL3647961 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -6.52 -6.73 -6.63 22.22% CHEMBL36154 Inactive 87.61%
TAAR1_HUMAN trace amine associated receptor 1 -7.46 -7.67 -7.29 30.07% CHEMBL1541237 Active 67.12%
TSHR_HUMAN thyroid stimulating hormone receptor -7.31 -7.77 -7.31 20.83% CHEMBL3983689 Inactive 95.80%
V1AR_HUMAN arginine vasopressin receptor 1A -6.88 -6.52 -7.82 23.08% CHEMBL41547 Inactive 97.98%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -6.53 -6.79 -6.95 27.75% CHEMBL3884667 N/A N/A