sa #109 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 -8.97 -7.38 -8.62 36.89% CHEMBL478617 Inactive 73.72%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.51 -9.19 -8.91 28.45% CHEMBL2205816 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -7.62 -7.80 -8.83 28.07% CHEMBL191460 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -8.84 -9.05 -7.26 17.90% CHEMBL22744 Inactive 65.86%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -9.44 -9.58 -9.47 20.51% CHEMBL418806 Inactive 81.02%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.81 -7.12 N/A 42.06% CHEMBL1276947 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -9.50 -10.23 -8.94 42.06% CHEMBL1276947 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.95 -9.86 N/A 42.06% CHEMBL1276947 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -7.93 -8.68 -7.76 27.48% CHEMBL555447 Inactive 78.54%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -9.31 -8.37 -8.81 29.31% CHEMBL185676 Inactive 69.53%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.30 -8.54 -8.57 28.99% CHEMBL98511 Active 55.38%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -8.81 -9.15 -6.67 46.84% CHEMBL485803 Active 53.16%
AA1R_HUMAN adenosine A1 receptor -8.59 -9.72 -8.06 29.08% CHEMBL2112177 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -5.91 -6.98 -8.85 24.70% CHEMBL2070508 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -9.91 -9.46 -9.31 25.62% CHEMBL384257 Inactive 70.33%
AA3R_HUMAN adenosine A3 receptor -2.63 -0.98 -8.90 57.69% CHEMBL275040 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -10.99 10.46 N/A 46.75% CHEMBL172969 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -8.62 -8.39 -11.20 60.27% CHEMBL64788 Active 79.29%
ACM3_HUMAN cholinergic receptor muscarinic 3 -10.32 -8.46 -8.48 44.71% CHEMBL480464 Active 69.04%
ACM4_HUMAN cholinergic receptor muscarinic 4 -10.01 -8.09 N/A 44.71% CHEMBL480464 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -10.69 -10.59 -6.83 43.30% CHEMBL277642 Active 78.02%
ACTHR_HUMAN melanocortin 2 receptor -9.70 -9.90 -10.13 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -10.00 -8.54 -9.77 34.31% CHEMBL517712 Active 59.80%
ADA2A_HUMAN adrenoceptor alpha 2A -0.25 1.71 3.62 40.00% CHEMBL191703 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -8.07 -4.47 -4.24 34.82% CHEMBL210578 Inactive 99.99%
ADA2C_HUMAN adrenoceptor alpha 2C 2.89 4.19 3.89 40.00% CHEMBL191703 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -9.16 -6.96 -8.93 30.25% CHEMBL1085009 Inactive 75.96%
ADRB2_HUMAN adrenoceptor beta 2 -7.86 -8.34 -10.68 33.33% CHEMBL1459608 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -9.71 -7.68 -9.29 33.60% CHEMBL3746280 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -8.70 -9.28 -8.88 26.09% CHEMBL3350599 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -8.17 -8.72 -8.72 32.98% CHEMBL109172 Inactive 77.42%
CALCR_HUMAN calcitonin receptor -8.62 -8.28 -8.55 29.30% CHEMBL2369895 Inactive 98.28%
CCKAR_HUMAN cholecystokinin A receptor -8.39 -8.07 -9.19 35.00% CHEMBL206025 Inactive 89.51%
CCR1_HUMAN C-C motif chemokine receptor 1 -9.85 -8.59 -7.54 40.74% CHEMBL3679652 Inactive 78.82%
CCR2_HUMAN C-C motif chemokine receptor 2 -8.58 -10.13 -8.62 42.59% CHEMBL523054 Active 55.23%
CCR4_HUMAN C-C motif chemokine receptor 4 -6.52 -6.90 -7.13 30.97% CHEMBL1621896 Inactive 82.56%
CCR5_HUMAN C-C motif chemokine receptor 5 -8.57 -8.21 -9.46 35.51% CHEMBL322603 Inactive 88.15%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -8.75 -9.27 -9.24 24.12% CHEMBL3342957 Inactive 87.23%
CNR1_HUMAN cannabinoid receptor 1 -8.34 -9.09 -7.75 51.28% CHEMBL472661 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -8.52 -10.26 N/A 51.28% CHEMBL472661 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -3.50 N/A N/A 22.34% CHEMBL556862 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -7.99 -8.11 -8.05 28.03% CHEMBL3645131 Inactive 65.74%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -9.45 -9.24 -9.13 33.90% CHEMBL3697091 Inactive 77.88%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -9.25 -7.45 -8.82 28.03% CHEMBL366033 N/A N/A
DRD1_HUMAN dopamine receptor D1 -8.76 -10.74 -9.90 37.62% CHEMBL1779058 Active 60.44%
DRD2_HUMAN dopamine receptor D2 -7.94 N/A N/A 36.89% CHEMBL478617 N/A N/A
DRD3_HUMAN dopamine receptor D3 -9.77 N/A N/A 34.82% CHEMBL210578 N/A N/A
DRD4_HUMAN dopamine receptor D4 -9.75 -9.96 N/A 37.62% CHEMBL1779058 N/A N/A
DRD5_HUMAN dopamine receptor D5 -8.38 -9.55 -7.47 28.83% CHEMBL54 Inactive 78.12%
EDNRA_HUMAN endothelin receptor type A -8.22 -8.34 -8.52 34.19% CHEMBL315927 Inactive 58.70%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 9.14 6.56 28.60 17.27% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -8.13 -8.41 -7.51 39.67% CHEMBL289008 Inactive 68.57%
GRM1_HUMAN glutamate metabotropic receptor 1 -9.05 -5.98 -3.49 38.57% CHEMBL38499 Inactive 99.99%
GRM2_HUMAN glutamate metabotropic receptor 2 -0.43 3.84 0.23 56.34% CHEMBL2381641 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -0.45 -0.48 0.52 56.34% CHEMBL2381641 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 11.62 10.97 10.34 34.31% CHEMBL578988 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -4.26 -0.62 -1.45 46.27% CHEMBL90501 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -1.96 -2.47 -2.36 56.34% CHEMBL2381641 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 1.39 4.11 3.07 25.21% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 9.87 10.93 15.18 42.42% CHEMBL280563 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 2.49 N/A N/A 42.06% CHEMBL1276947 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.38 -10.35 -9.97 31.07% CHEMBL2205812 Active 93.87%
HRH3_HUMAN histamine receptor H3 -8.70 -9.89 -9.75 47.50% CHEMBL488209 Active 73.63%
HRH4_HUMAN histamine receptor H4 -8.59 -8.07 -8.28 27.88% CHEMBL1934061 Inactive 62.04%
MC3R_HUMAN melanocortin 3 receptor -8.17 -8.53 -7.23 37.89% CHEMBL407135 Inactive 67.02%
MC4R_HUMAN melanocortin 4 receptor -8.32 -8.27 -8.40 37.89% CHEMBL407135 Inactive 73.88%
MC5R_HUMAN melanocortin 5 receptor -4.07 -5.60 -4.90 37.89% CHEMBL407135 Inactive 99.99%
MSHR_HUMAN melanocortin 1 receptor -7.34 -7.41 -9.25 30.71% CHEMBL2310901 Inactive 52.50%
NK1R_HUMAN tachykinin receptor 1 -10.06 -7.79 -8.39 36.30% CHEMBL202568 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -9.18 -9.53 -9.50 34.45% CHEMBL4068783 Inactive 79.49%
NPBW1_HUMAN neuropeptides B and W receptor 1 -8.55 -8.76 -10.20 21.71% CHEMBL1940539 Inactive 60.18%
NPFF1_HUMAN neuropeptide FF receptor 1 -8.87 -9.22 -8.66 26.72% CHEMBL1672379 Inactive 69.12%
NPSR1_HUMAN neuropeptide S receptor 1 -9.24 -9.14 -9.43 25.32% CHEMBL230333 Inactive 66.13%
NPY1R_HUMAN neuropeptide Y receptor Y1 -9.73 -9.50 -9.94 32.77% CHEMBL549377 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -8.55 -8.61 -8.37 38.89% CHEMBL4089420 Inactive 88.29%
NPY4R_HUMAN neuropeptide Y receptor Y4 -9.44 -10.64 -8.91 27.78% CHEMBL2440195 Inactive 98.95%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.93 -8.87 -8.79 27.34% CHEMBL3126039 Inactive 64.37%
OPRD_HUMAN opioid receptor delta 1 -8.29 -7.96 -8.35 38.55% CHEMBL3326796 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -10.39 -8.01 -8.29 48.39% CHEMBL3890935 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -9.00 -8.45 -8.00 48.39% CHEMBL3958393 Inactive 57.37%
OPRX_HUMAN opioid related nociceptin receptor 1 -8.16 -8.13 -8.56 40.35% CHEMBL506634 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -8.42 -8.63 -8.34 24.81% CHEMBL52693 Inactive 76.74%
TAAR1_HUMAN trace amine associated receptor 1 -8.25 -10.39 -8.44 48.00% CHEMBL1724146 Inactive 58.10%
TSHR_HUMAN thyroid stimulating hormone receptor -10.03 -10.94 -10.23 21.18% CHEMBL3897841 Inactive 87.03%
V1AR_HUMAN arginine vasopressin receptor 1A -7.65 -8.60 -8.45 31.09% CHEMBL1807279 Inactive 92.61%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -8.45 -8.92 -9.64 25.14% CHEMBL3884667 N/A N/A