test #46 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 -7.71 -7.09 -8.02 41.54% CHEMBL146942 Inactive 65.27%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.38 -8.00 -7.92 41.54% CHEMBL146942 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -7.91 -7.81 -7.06 40.79% CHEMBL140415 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -7.64 -7.81 -7.19 21.43% CHEMBL39 Active 59.10%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -7.90 -7.94 -8.35 25.00% CHEMBL497963 Inactive 64.17%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.76 -8.54 N/A 57.14% CHEMBL445747 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.76 -7.96 -8.05 57.14% CHEMBL445747 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.48 -8.31 N/A 64.91% CHEMBL474950 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -8.92 -9.15 -8.63 25.00% CHEMBL80015 Inactive 84.50%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -8.42 -7.68 -8.19 37.18% CHEMBL187415 Inactive 70.09%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -7.95 -7.74 -7.86 41.54% CHEMBL146942 Active 60.02%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -7.94 -7.59 -7.74 61.22% CHEMBL234885 Active 71.49%
AA1R_HUMAN adenosine A1 receptor -8.52 -8.36 -8.62 29.06% CHEMBL220118 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -8.38 -8.54 -8.45 29.06% CHEMBL220118 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -7.27 -7.81 -7.13 24.04% CHEMBL222719 Inactive 62.85%
AA3R_HUMAN adenosine A3 receptor -9.30 -8.70 -7.74 36.36% CHEMBL701 Active 83.33%
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.64 -9.74 N/A 45.07% CHEMBL72506 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -8.08 -7.45 -9.03 45.07% CHEMBL72506 Active 61.42%
ACM3_HUMAN cholinergic receptor muscarinic 3 -7.37 -8.38 -9.20 43.94% CHEMBL3084397 Active 56.48%
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.99 -8.61 N/A 41.77% CHEMBL443780 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -8.33 -8.30 -8.56 41.43% CHEMBL1490 Active 66.38%
ACTHR_HUMAN melanocortin 2 receptor -9.65 -9.80 -8.83 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -7.53 -7.56 -7.24 39.39% CHEMBL21731 Inactive 53.71%
ADA2A_HUMAN adrenoceptor alpha 2A -8.67 -8.16 -6.13 48.00% CHEMBL61006 Active 81.42%
ADA2B_HUMAN adrenoceptor alpha 2B -9.69 -9.39 -8.84 39.39% CHEMBL21731 Active 57.36%
ADA2C_HUMAN adrenoceptor alpha 2C -5.84 -4.99 -4.04 39.71% CHEMBL17157 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -8.03 -8.11 -8.27 44.30% CHEMBL451760 Active 61.57%
ADRB2_HUMAN adrenoceptor beta 2 -7.52 -8.79 -8.73 35.80% CHEMBL1800935 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -8.50 -9.53 -8.33 45.35% CHEMBL456971 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -8.58 -8.87 -8.59 30.70% CHEMBL290286 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -8.04 -8.86 -8.79 24.36% CHEMBL121565 Inactive 85.09%
CALCR_HUMAN calcitonin receptor -7.19 -7.12 -7.33 17.65% CHEMBL2369895 Inactive 98.29%
CCKAR_HUMAN cholecystokinin A receptor -8.31 -7.69 -8.24 25.64% CHEMBL1210154 Inactive 96.66%
CCR1_HUMAN C-C motif chemokine receptor 1 -8.52 -8.17 -7.36 35.53% CHEMBL140270 Inactive 90.49%
CCR2_HUMAN C-C motif chemokine receptor 2 -7.45 -7.72 -7.28 48.15% CHEMBL3754334 Inactive 79.50%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.10 -7.33 -7.43 20.90% CHEMBL208249 Inactive 80.82%
CCR5_HUMAN C-C motif chemokine receptor 5 -7.60 -7.58 -8.07 39.71% CHEMBL17157 Inactive 98.09%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -8.65 -8.87 -9.14 29.90% CHEMBL22776 Inactive 92.43%
CNR1_HUMAN cannabinoid receptor 1 -8.18 -8.40 -9.08 71.70% CHEMBL233182 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -9.15 -8.88 N/A 71.70% CHEMBL233182 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.50 N/A N/A 27.63% CHEMBL191413 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -7.84 -6.51 -6.12 27.63% CHEMBL191413 Inactive 71.47%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.19 -8.33 -8.32 32.99% CHEMBL2205063 Inactive 94.39%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.84 -6.16 -6.89 22.31% CHEMBL364295 N/A N/A
DRD1_HUMAN dopamine receptor D1 -8.06 -8.21 -7.88 39.39% CHEMBL21731 Inactive 52.13%
DRD2_HUMAN dopamine receptor D2 -7.86 N/A N/A 44.05% CHEMBL314536 N/A N/A
DRD3_HUMAN dopamine receptor D3 -8.12 N/A N/A 45.90% CHEMBL93234 N/A N/A
DRD4_HUMAN dopamine receptor D4 -7.38 -8.19 N/A 39.56% CHEMBL317988 N/A N/A
DRD5_HUMAN dopamine receptor D5 -7.90 -8.66 -8.75 39.39% CHEMBL21731 Active 57.87%
EDNRA_HUMAN endothelin receptor type A -6.45 -6.87 -6.82 44.32% CHEMBL31662 Inactive 55.31%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -7.76 -8.13 -8.51 19.66% CHEMBL2391908 Inactive 94.00%
GASR_HUMAN cholecystokinin B receptor -7.76 -7.53 -6.11 24.11% CHEMBL1171596 Inactive 82.64%
GRM1_HUMAN glutamate metabotropic receptor 1 -9.00 -8.92 -8.68 38.96% CHEMBL254372 Inactive 61.70%
GRM2_HUMAN glutamate metabotropic receptor 2 -7.68 -8.19 -7.93 44.78% CHEMBL124501 Active 66.57%
GRM3_HUMAN glutamate metabotropic receptor 3 -8.55 -9.58 -9.94 44.78% CHEMBL124501 Inactive 54.22%
GRM4_HUMAN glutamate metabotropic receptor 4 -6.27 -6.13 -6.12 18.69% CHEMBL2022867 Inactive 93.98%
GRM5_HUMAN glutamate metabotropic receptor 5 -8.54 -10.41 -10.23 40.54% CHEMBL1682795 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -8.73 -9.06 -8.81 19.05% CHEMBL566136 Inactive 97.98%
GRM7_HUMAN glutamate metabotropic receptor 7 -7.13 -6.55 -7.32 29.90% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -6.07 -7.50 -6.96 29.90% CHEMBL432038 Inactive 97.89%
HRH1_HUMAN histamine receptor H1 -9.11 N/A N/A 44.44% CHEMBL594138 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.33 -7.78 -9.37 39.39% CHEMBL21731 Active 97.86%
HRH3_HUMAN histamine receptor H3 -8.50 -7.74 -7.72 54.93% CHEMBL3402682 Active 83.12%
HRH4_HUMAN histamine receptor H4 -7.95 -7.50 -7.60 47.76% CHEMBL1934066 Active 71.36%
MC3R_HUMAN melanocortin 3 receptor -9.03 -8.21 -7.61 24.41% CHEMBL1093304 Inactive 72.70%
MC4R_HUMAN melanocortin 4 receptor -6.35 -6.80 -7.24 41.94% CHEMBL194464 Inactive 67.75%
MC5R_HUMAN melanocortin 5 receptor -6.69 -7.65 -7.21 25.00% CHEMBL3927489 Active 50.37%
MSHR_HUMAN melanocortin 1 receptor -8.49 -8.06 -8.26 24.41% CHEMBL1093307 Inactive 82.27%
NK1R_HUMAN tachykinin receptor 1 -7.84 -8.03 -7.63 45.45% CHEMBL143813 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -8.31 -7.98 -7.70 39.71% CHEMBL17157 Inactive 97.70%
NPBW1_HUMAN neuropeptides B and W receptor 1 -7.08 -6.71 -6.88 18.01% CHEMBL1940539 Inactive 96.24%
NPFF1_HUMAN neuropeptide FF receptor 1 -7.33 -7.26 -6.71 30.00% CHEMBL3361436 Inactive 92.98%
NPSR1_HUMAN neuropeptide S receptor 1 -7.98 -8.81 -7.42 23.76% CHEMBL3086828 Inactive 77.37%
NPY1R_HUMAN neuropeptide Y receptor Y1 -8.71 -8.02 -7.84 34.33% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -7.36 -7.04 -6.83 34.33% CHEMBL3559801 Inactive 93.84%
NPY4R_HUMAN neuropeptide Y receptor Y4 -7.37 -7.29 -7.03 34.33% CHEMBL3559801 Active 85.32%
NPY5R_HUMAN neuropeptide Y receptor Y5 -6.89 -7.01 -6.95 34.33% CHEMBL3559801 Inactive 93.70%
OPRD_HUMAN opioid receptor delta 1 -7.80 -7.16 -7.03 41.49% CHEMBL3809491 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -8.88 -8.36 -8.26 42.86% CHEMBL3809091 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -8.28 -7.28 -7.37 46.03% CHEMBL3937167 Inactive 67.72%
OPRX_HUMAN opioid related nociceptin receptor 1 -7.36 -7.17 -7.46 46.03% CHEMBL3937167 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -8.46 -8.38 -8.38 34.12% CHEMBL297624 Inactive 63.74%
TAAR1_HUMAN trace amine associated receptor 1 -8.91 -7.95 -8.38 46.67% CHEMBL19393 Active 68.79%
TSHR_HUMAN thyroid stimulating hormone receptor -8.38 -8.67 -8.82 25.45% CHEMBL3891546 Inactive 97.75%
V1AR_HUMAN arginine vasopressin receptor 1A -7.00 -7.35 -7.79 28.09% CHEMBL1084823 Inactive 97.57%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -7.72 -7.51 -8.11 18.18% CHEMBL483749 N/A N/A