cocaine #42 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 -7.44 -7.47 -7.76 60.33% CHEMBL56564 Active 69.57%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.15 -7.64 -8.47 46.51% CHEMBL79693 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -8.17 -8.01 -6.77 46.51% CHEMBL79693 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -7.79 -7.66 -7.80 26.55% CHEMBL103479 Active 54.51%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -7.89 -7.96 -8.05 29.76% CHEMBL320198 Inactive 55.54%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.83 -7.99 N/A 65.62% CHEMBL1201203 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.50 -7.80 -7.63 65.62% CHEMBL1201203 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -7.71 -8.79 N/A 65.62% CHEMBL1201203 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -8.43 -8.46 -7.63 60.33% CHEMBL56564 Active 78.10%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -8.39 -7.23 -7.40 38.28% CHEMBL161507 Inactive 60.28%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -7.87 -7.12 -7.87 55.66% CHEMBL1626 Active 95.00%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -7.89 -8.00 -7.86 44.00% CHEMBL203400 Active 63.46%
AA1R_HUMAN adenosine A1 receptor -7.32 -8.05 -7.06 38.04% CHEMBL3350613 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -7.11 -7.29 -7.85 38.04% CHEMBL3350613 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -7.88 -7.95 -7.76 34.91% CHEMBL384257 Inactive 63.34%
AA3R_HUMAN adenosine A3 receptor -8.40 -7.10 -7.83 69.90% CHEMBL2107804 Active 97.40%
ACM1_HUMAN cholinergic receptor muscarinic 1 -9.06 -3.12 N/A 71.29% CHEMBL85190 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -8.23 -7.89 -9.00 71.29% CHEMBL85190 Active 93.60%
ACM3_HUMAN cholinergic receptor muscarinic 3 -8.09 -8.55 -8.83 65.62% CHEMBL1201203 Active 74.82%
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.90 -6.92 N/A 71.29% CHEMBL85190 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -8.80 -9.01 -8.17 65.62% CHEMBL1201203 Active 79.92%
ACTHR_HUMAN melanocortin 2 receptor -9.74 -8.52 -7.86 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -7.95 -8.12 -7.50 65.62% CHEMBL1201203 Active 86.49%
ADA2A_HUMAN adrenoceptor alpha 2A -5.23 -7.05 -4.80 65.62% CHEMBL1201203 Active 78.51%
ADA2B_HUMAN adrenoceptor alpha 2B -9.17 -9.10 -8.51 65.62% CHEMBL1201203 Active 83.25%
ADA2C_HUMAN adrenoceptor alpha 2C -4.36 -4.12 -2.84 65.62% CHEMBL1201203 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -7.97 -8.01 -7.71 45.90% CHEMBL1085395 Active 72.74%
ADRB2_HUMAN adrenoceptor beta 2 -7.53 -8.43 -8.06 49.60% CHEMBL1459608 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -7.86 -8.08 -7.95 49.23% CHEMBL3746885 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -8.02 -7.85 -7.82 32.61% CHEMBL376286 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -8.37 -8.78 -8.65 35.66% CHEMBL406291 Inactive 70.34%
CALCR_HUMAN calcitonin receptor -6.93 -8.05 -7.91 32.95% CHEMBL2369895 Inactive 98.02%
CCKAR_HUMAN cholecystokinin A receptor -7.68 -7.49 -8.91 36.96% CHEMBL206025 Inactive 94.93%
CCR1_HUMAN C-C motif chemokine receptor 1 -7.39 -7.38 -7.23 47.24% CHEMBL344324 Inactive 92.88%
CCR2_HUMAN C-C motif chemokine receptor 2 -7.43 -7.51 -7.57 50.43% CHEMBL1683053 Inactive 80.27%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.52 -7.11 -7.27 31.69% CHEMBL1907216 Inactive 71.60%
CCR5_HUMAN C-C motif chemokine receptor 5 -7.51 -8.32 -7.37 54.76% CHEMBL101333 Inactive 83.03%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -7.32 -7.66 -8.39 32.96% CHEMBL3342957 Inactive 96.32%
CNR1_HUMAN cannabinoid receptor 1 -7.50 -8.53 -9.07 42.86% CHEMBL1765160 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -8.56 -9.07 N/A 50.00% CHEMBL1765285 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.26 N/A N/A 25.37% CHEMBL556862 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -7.85 -6.60 -6.90 33.33% CHEMBL3645131 Inactive 68.90%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -7.84 -7.62 -7.76 38.13% CHEMBL458422 Inactive 96.83%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.47 -6.83 -7.11 33.84% CHEMBL3923006 N/A N/A
DRD1_HUMAN dopamine receptor D1 -7.74 -7.69 -7.98 56.60% CHEMBL305660 Active 69.30%
DRD2_HUMAN dopamine receptor D2 -6.93 N/A N/A 62.50% CHEMBL3318839 N/A N/A
DRD3_HUMAN dopamine receptor D3 -7.82 N/A N/A 65.62% CHEMBL1201203 N/A N/A
DRD4_HUMAN dopamine receptor D4 -8.34 -8.54 N/A 62.50% CHEMBL3318835 N/A N/A
DRD5_HUMAN dopamine receptor D5 -8.04 -9.05 -7.75 42.86% CHEMBL54 Inactive 53.01%
EDNRA_HUMAN endothelin receptor type A -6.99 -7.02 -7.17 37.31% CHEMBL315927 Inactive 56.80%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -1.64 -3.99 -0.10 21.02% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -7.68 -7.43 -5.95 42.48% CHEMBL103276 Inactive 76.23%
GRM1_HUMAN glutamate metabotropic receptor 1 -8.60 -8.12 -7.18 34.62% CHEMBL92162 Inactive 69.20%
GRM2_HUMAN glutamate metabotropic receptor 2 -4.80 -6.57 -5.31 57.01% CHEMBL3955458 Active 80.83%
GRM3_HUMAN glutamate metabotropic receptor 3 -5.97 -7.15 -7.37 57.01% CHEMBL3955458 Inactive 51.25%
GRM4_HUMAN glutamate metabotropic receptor 4 -2.23 -2.97 -3.00 28.12% CHEMBL578988 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -9.34 -5.37 -5.57 42.50% CHEMBL3926962 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -7.32 -7.47 -7.89 38.32% CHEMBL275079 Inactive 98.36%
GRM7_HUMAN glutamate metabotropic receptor 7 -5.52 -5.32 -6.04 30.37% CHEMBL432038 Inactive 99.98%
GRM8_HUMAN glutamate metabotropic receptor 8 -2.65 -2.96 -2.27 31.11% CHEMBL95868 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -6.49 N/A N/A 65.62% CHEMBL1201203 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.58 -7.76 -7.90 55.66% CHEMBL1626 Active 98.93%
HRH3_HUMAN histamine receptor H3 -7.56 -7.83 -7.57 55.28% CHEMBL514217 Active 87.03%
HRH4_HUMAN histamine receptor H4 -7.63 -7.52 -7.91 53.23% CHEMBL4083336 Active 86.03%
MC3R_HUMAN melanocortin 3 receptor -7.99 -7.28 -7.25 47.83% CHEMBL379879 Inactive 52.05%
MC4R_HUMAN melanocortin 4 receptor -6.47 -6.41 -6.14 47.83% CHEMBL379879 Inactive 70.69%
MC5R_HUMAN melanocortin 5 receptor -5.91 -6.89 -4.77 37.21% CHEMBL1209788 Inactive 75.82%
MSHR_HUMAN melanocortin 1 receptor -7.89 -7.83 -7.53 47.83% CHEMBL379879 Inactive 61.56%
NK1R_HUMAN tachykinin receptor 1 -7.97 -8.10 -6.99 54.84% CHEMBL2115009 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -7.39 -7.53 -7.37 56.60% CHEMBL305660 Inactive 95.19%
NPBW1_HUMAN neuropeptides B and W receptor 1 -7.22 -7.36 -7.60 29.89% CHEMBL1977658 Inactive 94.60%
NPFF1_HUMAN neuropeptide FF receptor 1 -7.11 -6.93 -6.94 33.10% CHEMBL1672379 Inactive 91.36%
NPSR1_HUMAN neuropeptide S receptor 1 -7.44 -8.98 -7.89 31.58% CHEMBL230333 Inactive 72.92%
NPY1R_HUMAN neuropeptide Y receptor Y1 -8.57 -8.96 -7.42 42.14% CHEMBL1223991 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -7.39 -7.24 -7.46 38.69% CHEMBL2030150 Inactive 95.90%
NPY4R_HUMAN neuropeptide Y receptor Y4 -7.51 -7.55 -7.76 33.99% CHEMBL2440119 Active 55.81%
NPY5R_HUMAN neuropeptide Y receptor Y5 -7.28 -7.20 -7.12 46.32% CHEMBL522913 Inactive 86.93%
OPRD_HUMAN opioid receptor delta 1 -7.28 -6.28 -6.71 46.10% CHEMBL575647 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -8.14 -8.59 -7.37 52.00% CHEMBL179350 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -8.18 -6.50 -7.25 53.15% CHEMBL255768 Inactive 56.35%
OPRX_HUMAN opioid related nociceptin receptor 1 -7.08 -6.83 -7.60 52.27% CHEMBL1783822 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -7.27 -7.19 -7.28 40.62% CHEMBL2304167 Active 54.25%
TAAR1_HUMAN trace amine associated receptor 1 -8.48 -8.31 -8.17 46.67% CHEMBL1305977 Active 61.34%
TSHR_HUMAN thyroid stimulating hormone receptor -8.39 -8.67 -8.50 29.44% CHEMBL3897841 Inactive 97.30%
V1AR_HUMAN arginine vasopressin receptor 1A -7.05 -7.25 -7.21 41.22% CHEMBL3416867 Inactive 88.71%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -7.16 -7.44 -7.27 30.05% CHEMBL3884667 N/A N/A