Biloblide D #17 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 -8.23 -6.35 -8.79 30.17% CHEMBL1183249 Inactive 87.10%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -7.23 -7.82 -7.17 22.70% CHEMBL321190 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -7.73 -7.70 -7.40 18.80% CHEMBL139801 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -7.96 -7.68 -8.14 13.11% CHEMBL103479 Inactive 63.32%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -8.61 -8.74 -8.70 15.88% CHEMBL321967 Inactive 76.11%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -7.90 -8.45 N/A 72.73% CHEMBL1909065 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.14 -7.99 -8.49 72.73% CHEMBL1909065 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.25 -8.17 N/A 72.73% CHEMBL1909065 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -7.92 -8.63 -7.70 21.79% CHEMBL3741376 Inactive 78.38%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -7.08 -7.05 -7.55 21.43% CHEMBL3938006 Inactive 68.51%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -7.48 -7.44 -8.15 72.73% CHEMBL1909065 Active 95.48%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -6.96 -7.62 -7.23 32.33% CHEMBL487192 Inactive 67.48%
AA1R_HUMAN adenosine A1 receptor -7.18 -8.14 -3.78 28.14% CHEMBL3956531 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -6.04 -6.32 -7.02 22.03% CHEMBL2113418 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -8.76 -7.63 -8.12 21.59% CHEMBL464859 Inactive 68.68%
AA3R_HUMAN adenosine A3 receptor -6.22 0.35 -7.17 46.56% CHEMBL1200633 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -10.27 7.42 N/A 40.23% CHEMBL353311 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -8.95 -8.08 -7.96 40.23% CHEMBL353311 Active 56.87%
ACM3_HUMAN cholinergic receptor muscarinic 3 -8.61 -8.52 -7.56 38.54% CHEMBL480464 Active 58.55%
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.71 -5.72 N/A 38.54% CHEMBL480464 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -9.25 -8.45 -7.00 32.58% CHEMBL1123 Active 71.86%
ACTHR_HUMAN melanocortin 2 receptor -7.98 -8.48 -8.46 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.55 -8.85 -7.96 72.73% CHEMBL1909065 Active 89.03%
ADA2A_HUMAN adrenoceptor alpha 2A -3.77 -6.43 -2.14 72.73% CHEMBL1909065 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -8.01 -6.27 -3.63 72.73% CHEMBL1909065 Inactive 99.99%
ADA2C_HUMAN adrenoceptor alpha 2C -2.02 -3.21 -3.00 72.73% CHEMBL1909065 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -7.80 -6.83 -7.71 23.85% CHEMBL1085395 Inactive 62.74%
ADRB2_HUMAN adrenoceptor beta 2 -7.44 -7.69 -9.15 23.85% CHEMBL1085395 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -7.88 -7.35 -8.02 23.85% CHEMBL1085395 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -7.18 -7.73 -7.03 17.95% CHEMBL3350599 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -9.31 -8.94 -8.05 20.37% CHEMBL2372276 Inactive 92.86%
CALCR_HUMAN calcitonin receptor -7.80 -8.01 -8.20 17.68% CHEMBL2369895 Inactive 98.62%
CCKAR_HUMAN cholecystokinin A receptor -7.97 -8.67 -8.76 18.41% CHEMBL332263 Inactive 91.81%
CCR1_HUMAN C-C motif chemokine receptor 1 -7.05 -8.15 -7.57 23.43% CHEMBL69659 Inactive 97.47%
CCR2_HUMAN C-C motif chemokine receptor 2 -6.91 -7.56 -7.13 28.23% CHEMBL1684700 Inactive 96.39%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.88 -7.14 -6.86 18.18% CHEMBL64391 Inactive 71.95%
CCR5_HUMAN C-C motif chemokine receptor 5 -7.24 -7.36 -7.36 29.17% CHEMBL278383 Inactive 99.50%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -7.13 -7.68 -8.19 19.55% CHEMBL22776 Inactive 96.23%
CNR1_HUMAN cannabinoid receptor 1 -7.04 -7.25 -6.05 41.24% CHEMBL175247 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -7.35 -8.54 N/A 36.28% CHEMBL1923778 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.77 N/A N/A 13.06% CHEMBL3906175 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -7.12 -7.39 -7.07 17.76% CHEMBL3645131 Inactive 72.79%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.34 -8.05 -8.17 22.56% CHEMBL3956593 Inactive 97.49%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.65 -6.47 -7.74 29.41% CHEMBL1221944 N/A N/A
DRD1_HUMAN dopamine receptor D1 -6.82 -9.34 -7.82 19.44% CHEMBL416523 Inactive 65.69%
DRD2_HUMAN dopamine receptor D2 -7.13 N/A N/A 72.73% CHEMBL1909065 N/A N/A
DRD3_HUMAN dopamine receptor D3 -7.64 N/A N/A 72.73% CHEMBL1909065 N/A N/A
DRD4_HUMAN dopamine receptor D4 -7.91 -8.32 N/A 24.49% CHEMBL2443008 N/A N/A
DRD5_HUMAN dopamine receptor D5 -8.24 -7.68 -6.38 14.89% CHEMBL1258223 Inactive 93.81%
EDNRA_HUMAN endothelin receptor type A -7.24 -6.71 -6.77 28.68% CHEMBL64424 Inactive 62.07%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 5.19 3.76 20.12 10.90% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -7.84 -8.13 -6.48 22.35% CHEMBL318852 Inactive 87.55%
GRM1_HUMAN glutamate metabotropic receptor 1 -7.68 -5.74 -5.11 34.62% CHEMBL254372 Inactive 72.05%
GRM2_HUMAN glutamate metabotropic receptor 2 -2.33 0.54 -1.14 47.19% CHEMBL275079 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -0.34 -2.83 -1.28 47.19% CHEMBL275079 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 1.12 1.26 1.39 20.49% CHEMBL578988 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -6.20 -1.39 -4.61 28.57% CHEMBL90501 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -4.25 -4.88 -4.43 47.19% CHEMBL275079 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 -4.08 0.24 -3.61 24.22% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 4.01 7.00 7.20 26.83% CHEMBL280563 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -4.26 N/A N/A 20.80% CHEMBL1277585 N/A N/A
HRH2_HUMAN histamine receptor H2 -8.29 -8.77 -8.50 19.35% CHEMBL1626 Active 72.86%
HRH3_HUMAN histamine receptor H3 -6.89 -8.70 -8.90 25.83% CHEMBL3427239 Inactive 72.62%
HRH4_HUMAN histamine receptor H4 -6.82 -7.01 -7.30 25.40% CHEMBL20338 Active 59.21%
MC3R_HUMAN melanocortin 3 receptor -7.25 -6.80 -6.98 21.39% CHEMBL380437 Inactive 81.17%
MC4R_HUMAN melanocortin 4 receptor -7.66 -6.59 -6.67 22.22% CHEMBL1519347 Inactive 98.10%
MC5R_HUMAN melanocortin 5 receptor -4.95 -5.17 -4.38 19.55% CHEMBL2070254 Inactive 64.37%
MSHR_HUMAN melanocortin 1 receptor -6.68 -6.77 -7.56 21.39% CHEMBL380437 Inactive 72.12%
NK1R_HUMAN tachykinin receptor 1 -8.93 -7.10 -7.92 35.04% CHEMBL282618 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -8.07 -7.95 -7.90 33.15% CHEMBL225264 Inactive 98.75%
NPBW1_HUMAN neuropeptides B and W receptor 1 -7.38 -7.73 -8.69 20.79% CHEMBL1989216 Inactive 90.95%
NPFF1_HUMAN neuropeptide FF receptor 1 -7.68 -7.62 -7.29 18.12% CHEMBL1672379 Inactive 92.30%
NPSR1_HUMAN neuropeptide S receptor 1 -7.50 -8.83 -8.34 17.51% CHEMBL230333 Inactive 80.22%
NPY1R_HUMAN neuropeptide Y receptor Y1 -8.98 -7.97 -8.10 32.75% CHEMBL1223998 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -7.26 -7.45 -7.96 21.52% CHEMBL3099726 Inactive 98.99%
NPY4R_HUMAN neuropeptide Y receptor Y4 -8.30 -8.86 -8.18 20.72% CHEMBL3099723 Inactive 89.62%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.22 -7.54 -8.51 21.71% CHEMBL523964 Inactive 80.42%
OPRD_HUMAN opioid receptor delta 1 -6.53 -7.16 -6.81 36.08% CHEMBL1790709 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -8.68 -8.16 -7.58 73.17% CHEMBL560302 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -7.74 -7.15 -6.79 39.52% CHEMBL272939 Inactive 66.43%
OPRX_HUMAN opioid related nociceptin receptor 1 -7.40 -7.41 -7.38 24.60% CHEMBL3326232 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -6.79 -6.63 -7.09 84.81% CHEMBL514432 Active 93.03%
TAAR1_HUMAN trace amine associated receptor 1 -8.35 -9.26 -7.57 26.80% CHEMBL1420390 Inactive 56.63%
TSHR_HUMAN thyroid stimulating hormone receptor -8.56 -9.20 -8.42 17.61% CHEMBL3945037 Inactive 97.95%
V1AR_HUMAN arginine vasopressin receptor 1A -7.18 -7.42 -7.28 18.98% CHEMBL396270 Inactive 97.25%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -6.93 -7.08 -7.54 17.00% CHEMBL3884667 N/A N/A