Fentanyl #139 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

Protein Symbol Approved Name Docking Scores Similarity
Score
Best Match
Model 1 Model 2 Model 3
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.36 -8.48 -9.08 60.00% CHEMBL361061
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.08 -8.90 N/A 57.69% CHEMBL352194
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.81 -9.10 -9.38 56.67% CHEMBL3919861
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.49 -9.12 N/A 57.69% CHEMBL352194
AA1R_HUMAN adenosine A1 receptor -8.66 -8.83 -7.66 36.02% CHEMBL1095812
AA2AR_HUMAN adenosine A2a receptor -7.45 -8.09 -8.77 47.29% CHEMBL539454
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.87 -9.06 -7.24 65.43% CHEMBL141853
ACE_HUMAN angiotensin I converting enzyme -8.15 -8.40 -6.98 50.00% CHEMBL98
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.45 N/A N/A 28.57% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -6.17 -6.86 -4.84 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.03 -2.80 N/A 73.91% CHEMBL1243110
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.29 -7.78 N/A 68.48% CHEMBL3354065
ADRB2_HUMAN adrenoceptor beta 2 -7.73 -8.30 -9.28 54.72% CHEMBL1306990
AGTR2_HUMAN angiotensin II receptor type 2 -9.61 -9.85 -9.62 36.50% CHEMBL268815
ALDR_HUMAN aldo-keto reductase family 1 member B -9.41 -7.68 -9.72 39.07% CHEMBL281620
AMPN_HUMAN alanyl aminopeptidase, membrane -8.02 -8.37 -7.69 41.38% CHEMBL3764432
AOFA_HUMAN monoamine oxidase A -10.09 -9.07 -8.63 57.45% CHEMBL3781494
AOFB_HUMAN monoamine oxidase B -8.68 -8.70 -10.07 50.51% CHEMBL3604126
BACE1_HUMAN beta-secretase 1 -6.92 -7.39 -8.46 59.60% CHEMBL2181988
CAH2_HUMAN carbonic anhydrase 2 -7.37 -7.43 -7.59 61.62% CHEMBL182523
CASP1_HUMAN caspase 1 -6.46 -6.95 -6.03 46.88% CHEMBL1221597
CDK5_HUMAN cyclin dependent kinase 5 -7.76 -7.70 -7.16 43.33% CHEMBL1998121
CHLE_HUMAN butyrylcholinesterase -8.47 -8.99 -9.56 52.63% CHEMBL4077192
CNR1_HUMAN cannabinoid receptor 1 -8.98 -9.23 -9.76 55.95% CHEMBL479095
CNR2_HUMAN cannabinoid receptor 2 -9.18 -9.97 N/A 70.11% CHEMBL2338188
COLI_HUMAN proopiomelanocortin -8.18 -7.94 -7.52 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.90 -6.36 -5.94 25.74% CHEMBL3425731
CRP_HUMAN C-reactive protein -6.37 -5.93 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -5.19 N/A N/A 31.10% CHEMBL561812
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.98 -6.61 -7.56 41.88% CHEMBL2371850
DRD2_HUMAN dopamine receptor D2 -7.60 N/A N/A 70.79% CHEMBL4091231
DRD3_HUMAN dopamine receptor D3 -8.25 N/A N/A 70.79% CHEMBL4091231
DRD4_HUMAN dopamine receptor D4 -8.89 -8.94 N/A 70.79% CHEMBL4074104
EDN1_HUMAN endothelin 1 -7.64 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -8.30 -8.48 -8.48 50.89% CHEMBL3360843
FABP5_HUMAN fatty acid binding protein 5 -7.92 -6.05 -6.03 30.07% CHEMBL3941588
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -7.45 N/A N/A 43.33% CHEMBL1998121
GLRA3_HUMAN glycine receptor alpha 3 -9.32 -8.16 -8.77 28.19% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -9.63 N/A N/A 28.19% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 -8.50 -6.98 -7.52 47.52% CHEMBL2338572
HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.25 -7.69 -7.23 45.24% CHEMBL3425957
HRH1_HUMAN histamine receptor H1 -8.53 N/A N/A 61.82% CHEMBL1242923
HYES_HUMAN epoxide hydrolase 2 -8.50 -8.26 -8.71 68.18% CHEMBL1672132
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -8.28 N/A N/A 40.91% CHEMBL3823257
MDR1_HUMAN ATP binding cassette subfamily B member 1 -7.93 -8.39 N/A 46.34% CHEMBL2398178
MIF_HUMAN macrophage migration inhibitory factor -8.01 -8.45 -7.18 25.78% CHEMBL1604170
MK01_HUMAN mitogen-activated protein kinase 1 -7.20 -7.37 -7.83 47.06% CHEMBL3356128
MK03_HUMAN mitogen-activated protein kinase 3 -7.90 -8.11 -8.19 38.14% CHEMBL3113587
MTOR_HUMAN mechanistic target of rapamycin kinase -9.53 -9.08 -8.99 39.01% CHEMBL592619
NEP_HUMAN membrane metalloendopeptidase -7.50 -7.21 -7.56 50.00% CHEMBL467602
NK1R_HUMAN tachykinin receptor 1 -8.76 -8.19 -7.69 63.92% CHEMBL89245
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.31 -7.38 -7.70 28.44% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -9.06 -10.50 -6.61 43.64% CHEMBL444384
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -8.18 -7.40 -7.70 29.46% CHEMBL419399
NOS1_HUMAN nitric oxide synthase 1 -8.43 -8.29 -8.20 43.51% CHEMBL3216789
NOS2_HUMAN nitric oxide synthase 2 -6.98 -8.72 -8.17 44.92% CHEMBL112747
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -8.73 -9.20 -9.11 43.00% CHEMBL1984131
OPRD_HUMAN opioid receptor delta 1 -8.18 -7.13 -7.16 100.00% CHEMBL12391
OPRK_HUMAN opioid receptor kappa 1 -9.67 -8.24 -8.53 100.00% CHEMBL12391
OPRM_MOUSE Mu-type opioid receptor -8.44 -8.64 N/A 100.00% CHEMBL596
OPRX_HUMAN opioid related nociceptin receptor 1 -7.55 -7.44 -7.63 80.00% CHEMBL317152
P2RX3_HUMAN purinergic receptor P2X 3 -5.63 -5.63 -6.10 42.34% CHEMBL3669705
P2Y12_HUMAN purinergic receptor P2Y12 -8.13 -7.40 -7.05 36.72% CHEMBL88708
PAR1_HUMAN coagulation factor II thrombin receptor -8.10 N/A N/A 73.91% CHEMBL3658401
PDE4B_HUMAN phosphodiesterase 4B -7.99 -8.12 -8.66 39.84% CHEMBL37386
PDE5A_HUMAN phosphodiesterase 5A -8.25 -8.36 -8.02 31.82% CHEMBL555171
PERM_HUMAN myeloperoxidase -7.81 -8.46 -8.03 38.94% CHEMBL2347029
PGH1_SHEEP Prostaglandin G/H synthase 1 -9.40 -8.71 -8.01 40.83% CHEMBL3775653
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -4.93 -5.22 -6.33 44.63% CHEMBL49775
PPAP_HUMAN acid phosphatase 3 -8.05 N/A N/A 24.07% CHEMBL501717
PPARG_HUMAN peroxisome proliferator activated receptor gamma -7.69 -9.34 -7.47 47.11% CHEMBL340011
PRGR_HUMAN progesterone receptor -8.55 -7.85 -9.53 48.00% CHEMBL332502
PTGES_HUMAN prostaglandin E synthase -6.97 N/A N/A 53.33% CHEMBL4086788
SC6A4_HUMAN solute carrier family 6 member 4 -9.64 -9.19 -9.51 65.48% CHEMBL564288
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.54 N/A N/A 59.09% CHEMBL2152693
TLR4_HUMAN toll like receptor 4 -8.33 -8.16 -8.74 39.05% CHEMBL1223752
TNFA_HUMAN tumor necrosis factor -7.78 N/A N/A 44.86% CHEMBL1612423
TRBM_HUMAN thrombomodulin -7.60 -6.70 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -6.92 -7.11 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -9.23 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -8.17 N/A N/A 47.37% CHEMBL2057855
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.27 -8.55 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -7.99 -6.85 N/A 36.24% CHEMBL3943107
TRXR1_HUMAN thioredoxin reductase 1 -8.00 -7.73 -6.52 N/A N/A
TRY1_HUMAN serine protease 1 -6.25 N/A N/A 48.28% CHEMBL421370