JLK-fentanyl #234 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 -8.41 -8.01 -8.65 69.66% CHEMBL3321796 Active 87.81%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.92 -9.05 -10.13 60.00% CHEMBL361061 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -9.15 -8.70 -8.41 60.00% CHEMBL361061 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -8.48 -8.31 -8.31 40.91% CHEMBL105261 Inactive 67.99%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -9.24 -9.09 -9.31 60.00% CHEMBL361061 Active 95.59%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.01 -9.46 N/A 57.69% CHEMBL352194 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.84 -8.85 -9.27 56.67% CHEMBL3919861 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.93 -9.90 N/A 57.69% CHEMBL352194 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -9.24 -9.31 -8.24 44.20% CHEMBL2179582 Active 56.30%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -9.01 -7.03 -8.24 48.28% CHEMBL189262 Inactive 52.39%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -9.41 -8.37 -9.79 65.93% CHEMBL3260790 Active 96.63%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -8.91 -8.49 -8.47 70.45% CHEMBL3321797 Active 96.87%
AA1R_HUMAN adenosine A1 receptor -8.48 -8.91 -9.16 36.02% CHEMBL1095812 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -8.58 -8.21 -8.85 47.29% CHEMBL539454 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -8.56 -9.09 -8.66 34.19% CHEMBL32447 Active 57.17%
AA3R_HUMAN adenosine A3 receptor -5.81 -4.99 -8.13 45.05% CHEMBL11 Active 55.57%
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.69 -3.33 N/A 73.91% CHEMBL1243110 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -8.95 -8.34 -8.19 82.93% CHEMBL86309 Active 92.04%
ACM3_HUMAN cholinergic receptor muscarinic 3 -9.37 -9.63 -9.47 82.93% CHEMBL86309 Active 97.48%
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.53 -9.18 N/A 68.48% CHEMBL3354065 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -9.48 -9.28 -9.22 68.48% CHEMBL3354078 Active 66.91%
ACTHR_HUMAN melanocortin 2 receptor -9.98 -9.97 -8.84 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.93 -8.52 -8.68 68.48% CHEMBL4072818 Active 89.88%
ADA2A_HUMAN adrenoceptor alpha 2A -6.41 -4.75 0.53 42.16% CHEMBL395110 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -9.71 -7.28 -6.54 52.88% CHEMBL279516 Active 54.38%
ADA2C_HUMAN adrenoceptor alpha 2C -1.26 -1.97 9.55 52.88% CHEMBL279516 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -9.22 -8.83 -8.48 56.88% CHEMBL421030 Active 82.17%
ADRB2_HUMAN adrenoceptor beta 2 -9.15 -9.68 -9.48 54.72% CHEMBL1306990 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -9.36 -9.30 -8.69 56.88% CHEMBL421030 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -9.77 -10.07 -9.94 36.50% CHEMBL268815 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -9.05 -9.53 -9.43 51.02% CHEMBL109123 Active 72.10%
CALCR_HUMAN calcitonin receptor -7.84 -8.50 -8.55 32.28% CHEMBL2369895 Inactive 98.16%
CCKAR_HUMAN cholecystokinin A receptor -8.57 -8.42 -9.05 48.00% CHEMBL105619 Inactive 71.63%
CCR1_HUMAN C-C motif chemokine receptor 1 -8.24 -8.28 -8.56 64.56% CHEMBL33761 Active 64.44%
CCR2_HUMAN C-C motif chemokine receptor 2 -7.65 -8.85 -8.35 55.66% CHEMBL2036755 Active 71.58%
CCR4_HUMAN C-C motif chemokine receptor 4 -8.07 -8.45 -9.07 42.22% CHEMBL395680 Inactive 60.05%
CCR5_HUMAN C-C motif chemokine receptor 5 -8.22 -8.85 -8.47 78.16% CHEMBL3104691 Active 93.01%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -7.95 -9.96 -9.38 38.58% CHEMBL129866 Inactive 74.75%
CNR1_HUMAN cannabinoid receptor 1 -9.28 -9.58 -10.01 55.95% CHEMBL479095 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -10.14 -10.44 N/A 70.11% CHEMBL2338188 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -4.57 N/A N/A 31.10% CHEMBL561812 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.65 -7.17 -7.69 33.87% CHEMBL392181 Inactive 70.51%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.74 -8.84 -8.73 54.55% CHEMBL252503 Inactive 62.54%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.63 -7.40 -7.60 41.88% CHEMBL2371850 N/A N/A
DRD1_HUMAN dopamine receptor D1 -9.10 -8.88 -8.73 50.00% CHEMBL476108 Active 75.56%
DRD2_HUMAN dopamine receptor D2 -8.17 N/A N/A 70.79% CHEMBL4091231 N/A N/A
DRD3_HUMAN dopamine receptor D3 -7.84 N/A N/A 70.79% CHEMBL4091231 N/A N/A
DRD4_HUMAN dopamine receptor D4 -9.29 -9.39 N/A 70.79% CHEMBL4074104 N/A N/A
DRD5_HUMAN dopamine receptor D5 -8.90 -9.94 -7.31 52.25% CHEMBL394080 Inactive 53.28%
EDNRA_HUMAN endothelin receptor type A -7.63 -7.64 -7.88 38.19% CHEMBL1793932 Inactive 63.71%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -1.85 -2.87 9.21 21.48% CHEMBL392394 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -8.49 -7.93 -6.69 50.00% CHEMBL331929 Inactive 59.12%
GRM1_HUMAN glutamate metabotropic receptor 1 -8.31 -9.60 -8.74 61.11% CHEMBL2418383 Active 70.31%
GRM2_HUMAN glutamate metabotropic receptor 2 -3.86 -4.30 -2.86 45.92% CHEMBL3221831 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -4.64 -5.57 -6.58 34.82% CHEMBL4095995 Inactive 72.16%
GRM4_HUMAN glutamate metabotropic receptor 4 -0.55 0.07 0.60 43.62% CHEMBL578358 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -8.18 -9.30 -9.17 47.52% CHEMBL2338572 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -6.59 -9.36 -7.22 41.67% CHEMBL2418359 Inactive 99.02%
GRM7_HUMAN glutamate metabotropic receptor 7 -2.66 -2.55 -2.44 30.14% CHEMBL3559748 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 3.44 -0.96 -0.47 41.67% CHEMBL2418359 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -7.34 N/A N/A 61.82% CHEMBL1242923 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.91 -9.08 -9.89 40.57% CHEMBL1627 Active 98.14%
HRH3_HUMAN histamine receptor H3 -7.96 -9.19 -8.20 65.91% CHEMBL3949244 Active 93.76%
HRH4_HUMAN histamine receptor H4 -8.57 -7.57 -8.40 43.69% CHEMBL4084275 Active 53.07%
MC3R_HUMAN melanocortin 3 receptor -8.54 -8.28 -9.12 46.97% CHEMBL1089104 Active 72.23%
MC4R_HUMAN melanocortin 4 receptor -7.73 -7.20 -7.28 54.70% CHEMBL379051 Inactive 72.98%
MC5R_HUMAN melanocortin 5 receptor -5.83 -8.50 -5.51 51.64% CHEMBL3951865 Inactive 52.12%
MSHR_HUMAN melanocortin 1 receptor -8.55 -8.57 -7.99 44.64% CHEMBL1091631 Inactive 66.40%
NK1R_HUMAN tachykinin receptor 1 -8.94 -7.69 -8.18 63.92% CHEMBL89245 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -8.77 -9.01 -9.13 50.82% CHEMBL108997 Inactive 76.49%
NPBW1_HUMAN neuropeptides B and W receptor 1 -7.88 -8.13 -8.17 32.11% CHEMBL1968640 Inactive 91.12%
NPFF1_HUMAN neuropeptide FF receptor 1 -8.34 -8.13 -8.09 51.89% CHEMBL3361410 Active 61.18%
NPSR1_HUMAN neuropeptide S receptor 1 -8.74 -10.35 -8.84 43.48% CHEMBL1289780 Active 54.23%
NPY1R_HUMAN neuropeptide Y receptor Y1 -9.95 -9.21 -8.65 45.10% CHEMBL564810 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -8.45 -8.25 -7.65 73.03% CHEMBL1288048 Active 90.17%
NPY4R_HUMAN neuropeptide Y receptor Y4 -8.88 -8.58 -8.38 40.65% CHEMBL2110365 Inactive 76.13%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.04 -8.00 -7.42 59.81% CHEMBL2013017 Active 86.05%
OPRD_HUMAN opioid receptor delta 1 -8.32 -7.55 -7.57 100.00% CHEMBL12391 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -9.70 -8.66 -9.15 100.00% CHEMBL12391 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -9.26 -7.67 -8.25 100.00% CHEMBL12391 Active 99.99%
OPRX_HUMAN opioid related nociceptin receptor 1 -8.17 -7.65 -7.89 80.00% CHEMBL317152 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -8.64 -8.01 -8.18 37.50% CHEMBL52821 Active 56.27%
TAAR1_HUMAN trace amine associated receptor 1 -10.16 -9.51 -9.29 65.98% CHEMBL1337758 Active 59.43%
TSHR_HUMAN thyroid stimulating hormone receptor -9.58 -9.89 -9.53 50.00% CHEMBL3908443 Inactive 80.92%
V1AR_HUMAN arginine vasopressin receptor 1A -8.03 -8.28 -8.65 50.00% CHEMBL1807258 Inactive 55.79%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -9.03 -8.71 -9.35 31.43% CHEMBL3884667 N/A N/A