Morphine+Oxycodone #143 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

Ligand Protein Symbol Approved Name Docking Scores Similarity
Score
Best Match
Model 1 Model 2 Model 3
Oxycodone 5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -9.02 -9.36 -8.14 59.87% CHEMBL29951
TEST 5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.23 -9.04 -8.28 52.63% CHEMBL29951
Oxycodone 5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.57 -7.38 N/A 60.90% CHEMBL3695433
TEST 5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.82 -7.97 N/A 51.96% CHEMBL3695438
Oxycodone 5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.44 -8.51 -8.60 58.33% CHEMBL445106
TEST 5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.43 -8.69 -8.74 51.06% CHEMBL445106
Oxycodone 5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -7.85 -9.67 N/A 58.33% CHEMBL445106
TEST 5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.41 -9.00 N/A 51.06% CHEMBL445106
Oxycodone AA1R_HUMAN adenosine A1 receptor -8.75 -8.51 -6.84 35.88% CHEMBL1544
TEST AA1R_HUMAN adenosine A1 receptor -7.66 -8.26 -4.65 29.96% CHEMBL3317575
Oxycodone AA2AR_HUMAN adenosine A2a receptor -7.44 -7.35 -9.34 42.25% CHEMBL541219
TEST AA2AR_HUMAN adenosine A2a receptor -8.62 -9.48 -10.40 34.24% CHEMBL559023
Oxycodone ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.80 -9.61 -8.26 64.71% CHEMBL3764305
TEST ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.76 -8.85 -8.78 66.01% CHEMBL569978
Oxycodone ACE_HUMAN angiotensin I converting enzyme -8.57 -8.46 -7.63 46.15% CHEMBL58042
TEST ACE_HUMAN angiotensin I converting enzyme -8.53 -8.74 -7.71 37.12% CHEMBL1165
Oxycodone ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.73 N/A N/A 27.39% CHEMBL386114
TEST ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.08 N/A N/A 21.72% CHEMBL386114
Oxycodone ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.68 -2.98 -7.00 N/A N/A
TEST ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.44 -3.29 -5.96 N/A N/A
Oxycodone ACM1_HUMAN cholinergic receptor muscarinic 1 -10.32 4.58 N/A 50.00% CHEMBL343236
TEST ACM1_HUMAN cholinergic receptor muscarinic 1 -10.02 3.46 N/A 45.66% CHEMBL343236
Oxycodone ACM4_HUMAN cholinergic receptor muscarinic 4 -10.21 -6.87 N/A 48.50% CHEMBL1346
TEST ACM4_HUMAN cholinergic receptor muscarinic 4 -9.37 -6.22 N/A 39.27% CHEMBL1346
Oxycodone ADRB2_HUMAN adrenoceptor beta 2 -8.33 -8.50 -8.83 49.08% CHEMBL1773265
TEST ADRB2_HUMAN adrenoceptor beta 2 -7.41 -7.50 -8.85 43.26% CHEMBL513389
Oxycodone AGTR2_HUMAN angiotensin II receptor type 2 -8.32 -8.29 -8.18 51.50% CHEMBL154057
TEST AGTR2_HUMAN angiotensin II receptor type 2 -8.15 -7.81 -7.80 42.67% CHEMBL154057
Oxycodone ALDR_HUMAN aldo-keto reductase family 1 member B -9.02 -8.24 -7.54 44.77% CHEMBL71562
TEST ALDR_HUMAN aldo-keto reductase family 1 member B -7.87 -6.59 -7.12 32.54% CHEMBL311679
Oxycodone AMPN_HUMAN alanyl aminopeptidase, membrane -8.11 -8.58 -8.55 40.10% CHEMBL1077584
TEST AMPN_HUMAN alanyl aminopeptidase, membrane -8.15 -8.23 -8.00 33.78% CHEMBL1782887
Oxycodone AOFA_HUMAN monoamine oxidase A -8.95 -10.08 -8.28 40.54% CHEMBL4073457
TEST AOFA_HUMAN monoamine oxidase A -8.66 -9.39 -8.25 34.30% CHEMBL4073457
Oxycodone AOFB_HUMAN monoamine oxidase B -10.39 -8.26 -8.64 42.77% CHEMBL3288304
TEST AOFB_HUMAN monoamine oxidase B -9.87 -8.60 -9.19 35.75% CHEMBL4113794
Oxycodone BACE1_HUMAN beta-secretase 1 -7.34 -7.75 -9.18 48.58% CHEMBL3955763
TEST BACE1_HUMAN beta-secretase 1 -6.94 -7.39 -8.50 43.53% CHEMBL3955763
Oxycodone CAH2_HUMAN carbonic anhydrase 2 -7.56 -8.24 -7.98 45.73% CHEMBL3786651
TEST CAH2_HUMAN carbonic anhydrase 2 -7.53 -7.29 -6.77 40.44% CHEMBL3786651
Oxycodone CASP1_HUMAN caspase 1 -7.33 -7.41 -6.28 45.00% CHEMBL2371932
TEST CASP1_HUMAN caspase 1 -6.89 -7.24 -6.96 34.62% CHEMBL3898379
Oxycodone CDK5_HUMAN cyclin dependent kinase 5 -7.89 -7.65 -5.47 33.04% CHEMBL422897
TEST CDK5_HUMAN cyclin dependent kinase 5 -6.44 -6.87 -5.18 29.55% CHEMBL422897
Oxycodone CHLE_HUMAN butyrylcholinesterase -9.35 -9.12 -9.35 46.43% CHEMBL3410956
TEST CHLE_HUMAN butyrylcholinesterase -9.46 -9.69 -9.90 43.52% CHEMBL366411
Oxycodone CNR1_HUMAN cannabinoid receptor 1 -7.59 -8.42 -8.55 53.46% CHEMBL228349
TEST CNR1_HUMAN cannabinoid receptor 1 -8.92 -8.18 -8.41 56.82% CHEMBL303479
Oxycodone CNR2_HUMAN cannabinoid receptor 2 -8.87 -9.55 N/A 53.16% CHEMBL223990
TEST CNR2_HUMAN cannabinoid receptor 2 -9.73 -9.02 N/A 56.82% CHEMBL303479
Oxycodone COLI_HUMAN proopiomelanocortin -8.01 -8.17 -7.46 N/A N/A
TEST COLI_HUMAN proopiomelanocortin -8.00 -8.20 -6.57 N/A N/A
Oxycodone COMT_HUMAN catechol-O-methyltransferase -5.86 -5.75 -5.72 25.55% CHEMBL3425740
TEST COMT_HUMAN catechol-O-methyltransferase -6.29 -6.70 -5.75 22.70% CHEMBL3819488
Oxycodone CRP_HUMAN C-reactive protein -6.15 -6.24 N/A N/A N/A
TEST CRP_HUMAN C-reactive protein -6.20 -6.58 N/A N/A N/A
Oxycodone CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.74 N/A N/A 27.64% CHEMBL490688
TEST CXCR1_HUMAN C-X-C motif chemokine receptor 1 -9.03 N/A N/A 28.19% CHEMBL490688
Oxycodone CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.66 -7.05 -8.07 36.61% CHEMBL3963508
TEST CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.80 -6.47 -7.22 33.92% CHEMBL2029611
Oxycodone DRD2_HUMAN dopamine receptor D2 -8.66 N/A N/A 61.94% CHEMBL170976
TEST DRD2_HUMAN dopamine receptor D2 -7.56 N/A N/A 55.49% CHEMBL170976
Oxycodone DRD3_HUMAN dopamine receptor D3 -8.09 N/A N/A 61.94% CHEMBL170976
TEST DRD3_HUMAN dopamine receptor D3 -8.83 N/A N/A 55.49% CHEMBL170976
Oxycodone DRD4_HUMAN dopamine receptor D4 -8.53 -8.57 N/A 52.57% CHEMBL132261
TEST DRD4_HUMAN dopamine receptor D4 -7.98 -8.26 N/A 47.67% CHEMBL132261
Oxycodone EDN1_HUMAN endothelin 1 -7.38 N/A N/A N/A N/A
TEST EDN1_HUMAN endothelin 1 -7.23 N/A N/A N/A N/A
Oxycodone ESR1_HUMAN estrogen receptor 1 -7.92 -8.16 -8.16 52.33% CHEMBL33890
TEST ESR1_HUMAN estrogen receptor 1 -9.00 -8.76 -8.75 44.56% CHEMBL178559
Oxycodone FABP5_HUMAN fatty acid binding protein 5 -8.45 -6.12 -6.57 33.33% CHEMBL212860
TEST FABP5_HUMAN fatty acid binding protein 5 -8.76 -6.97 -6.27 30.54% CHEMBL437489
Oxycodone FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -8.22 N/A N/A 32.29% CHEMBL432649
TEST FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -7.44 N/A N/A 28.72% CHEMBL221753
Oxycodone GLRA3_HUMAN glycine receptor alpha 3 -9.12 -8.68 -8.75 25.93% CHEMBL4070615
Oxycodone GLRA3_HUMAN glycine receptor alpha 3 -9.65 N/A N/A 25.93% CHEMBL4070615
TEST GLRA3_HUMAN glycine receptor alpha 3 -8.35 -8.10 -7.91 24.31% CHEMBL4070615
TEST GLRA3_HUMAN glycine receptor alpha 3 -9.51 N/A N/A 24.31% CHEMBL4070615
Oxycodone GRM5_HUMAN glutamate metabotropic receptor 5 -10.13 -2.95 -5.29 39.38% CHEMBL1289626
TEST GRM5_HUMAN glutamate metabotropic receptor 5 -7.11 -4.70 -4.34 33.15% CHEMBL1289626
Oxycodone HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.04 -7.05 -6.56 24.69% CHEMBL3698267
TEST HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.22 -6.78 -6.30 23.72% CHEMBL3698265
Oxycodone HRH1_HUMAN histamine receptor H1 -2.60 N/A N/A 48.47% CHEMBL476839
TEST HRH1_HUMAN histamine receptor H1 -4.08 N/A N/A 45.25% CHEMBL476839
Oxycodone HYES_HUMAN epoxide hydrolase 2 -8.98 -8.39 -8.09 54.72% CHEMBL1672128
TEST HYES_HUMAN epoxide hydrolase 2 -8.21 -8.04 -8.05 42.70% CHEMBL1672128
Oxycodone IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -8.46 N/A N/A 36.95% CHEMBL184041
TEST IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -6.24 N/A N/A 31.51% CHEMBL1672879
Oxycodone MDR1_HUMAN ATP binding cassette subfamily B member 1 -8.39 -7.90 N/A 74.67% CHEMBL261048
TEST MDR1_HUMAN ATP binding cassette subfamily B member 1 -8.46 -7.36 N/A 100.00% CHEMBL70
Oxycodone MIF_HUMAN macrophage migration inhibitory factor -6.02 -7.40 -6.57 28.08% CHEMBL1289631
TEST MIF_HUMAN macrophage migration inhibitory factor -5.90 -6.55 -6.62 30.43% CHEMBL2375651
Oxycodone MK01_HUMAN mitogen-activated protein kinase 1 -7.99 -8.51 -7.32 40.23% CHEMBL3752989
TEST MK01_HUMAN mitogen-activated protein kinase 1 -6.98 -7.80 -7.41 39.53% CHEMBL555017
Oxycodone MK03_HUMAN mitogen-activated protein kinase 3 -8.18 -8.27 -7.74 34.65% CHEMBL555017
TEST MK03_HUMAN mitogen-activated protein kinase 3 -6.44 -6.79 -7.50 39.53% CHEMBL555017
Oxycodone MTOR_HUMAN mechanistic target of rapamycin kinase -9.05 -9.24 -8.62 38.72% CHEMBL4074753
TEST MTOR_HUMAN mechanistic target of rapamycin kinase -8.52 -8.62 -8.41 33.33% CHEMBL4074753
Oxycodone NEP_HUMAN membrane metalloendopeptidase -7.50 -7.64 -7.35 49.15% CHEMBL2062138
TEST NEP_HUMAN membrane metalloendopeptidase -8.18 -8.44 -7.97 38.24% CHEMBL2062138
Oxycodone NK1R_HUMAN tachykinin receptor 1 -8.72 -8.75 -7.67 48.07% CHEMBL2112368
TEST NK1R_HUMAN tachykinin receptor 1 -8.75 -7.09 -7.95 45.41% CHEMBL2114439
Oxycodone NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.98 -7.84 -7.67 24.02% CHEMBL284237
TEST NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -7.65 -7.73 -7.52 25.65% CHEMBL284237
Oxycodone NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -7.46 -8.03 -6.69 44.37% CHEMBL1289403
TEST NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -7.48 -9.52 -6.65 39.44% CHEMBL3357783
Oxycodone NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -7.47 -7.20 -7.67 22.06% CHEMBL419399
TEST NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -7.65 -7.70 -7.52 20.81% CHEMBL419399
Oxycodone NOS1_HUMAN nitric oxide synthase 1 -8.49 -8.68 -7.68 40.78% CHEMBL42968
TEST NOS1_HUMAN nitric oxide synthase 1 -8.04 -7.57 -8.70 34.50% CHEMBL42968
Oxycodone NOS2_HUMAN nitric oxide synthase 2 -7.31 -8.36 -9.59 40.78% CHEMBL42968
TEST NOS2_HUMAN nitric oxide synthase 2 -6.89 -8.84 -7.90 34.50% CHEMBL42968
Oxycodone NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -8.47 -8.68 -8.79 34.50% CHEMBL444109
TEST NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -7.40 -8.00 -7.70 39.31% CHEMBL444109
Oxycodone OPRD_HUMAN opioid receptor delta 1 -8.47 -6.82 -7.01 99.34% CHEMBL387016
TEST OPRD_HUMAN opioid receptor delta 1 -7.14 -6.79 -7.36 100.00% CHEMBL70
Oxycodone OPRK_HUMAN opioid receptor kappa 1 -9.52 -9.20 -7.55 99.34% CHEMBL387016
TEST OPRK_HUMAN opioid receptor kappa 1 -9.06 -8.55 -7.70 100.00% CHEMBL70
Oxycodone OPRM_MOUSE Mu-type opioid receptor -8.45 -8.31 N/A 100.00% CHEMBL656
TEST OPRM_MOUSE Mu-type opioid receptor -8.29 -8.66 N/A 100.00% CHEMBL70
Oxycodone OPRX_HUMAN opioid related nociceptin receptor 1 -7.70 -7.01 -7.59 75.93% CHEMBL511142
TEST OPRX_HUMAN opioid related nociceptin receptor 1 -8.07 -7.12 -7.42 94.38% CHEMBL3262362
Oxycodone P2RX3_HUMAN purinergic receptor P2X 3 -6.23 -5.88 -6.07 36.70% CHEMBL3679750
TEST P2RX3_HUMAN purinergic receptor P2X 3 -6.39 -5.93 -6.38 35.47% CHEMBL3679847
Oxycodone P2Y12_HUMAN purinergic receptor P2Y12 -7.26 -3.41 -7.67 34.31% CHEMBL88108
TEST P2Y12_HUMAN purinergic receptor P2Y12 -6.65 -4.47 -6.12 28.47% CHEMBL2172277
Oxycodone PAR1_HUMAN coagulation factor II thrombin receptor -9.22 N/A N/A 39.00% CHEMBL334510
TEST PAR1_HUMAN coagulation factor II thrombin receptor -9.16 N/A N/A 34.35% CHEMBL3086083
Oxycodone PDE4B_HUMAN phosphodiesterase 4B -8.23 -8.81 -9.09 57.50% CHEMBL144499
TEST PDE4B_HUMAN phosphodiesterase 4B -8.01 -7.41 -8.38 45.95% CHEMBL144499
Oxycodone PDE5A_HUMAN phosphodiesterase 5A -7.78 -8.20 -8.63 36.13% CHEMBL190423
TEST PDE5A_HUMAN phosphodiesterase 5A -7.82 -8.14 -8.24 31.75% CHEMBL190423
Oxycodone PERM_HUMAN myeloperoxidase -8.33 -8.16 -8.10 37.64% CHEMBL490
TEST PERM_HUMAN myeloperoxidase -7.90 -7.96 -8.02 35.57% CHEMBL490
Oxycodone PGH1_SHEEP Prostaglandin G/H synthase 1 -5.89 -7.94 -7.43 35.45% CHEMBL24798
TEST PGH1_SHEEP Prostaglandin G/H synthase 1 -3.16 -7.62 -7.03 34.85% CHEMBL229957
Oxycodone PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -1.16 -4.32 -9.85 42.14% CHEMBL276663
TEST PGH2_HUMAN prostaglandin-endoperoxide synthase 2 1.36 -6.24 -6.70 34.92% CHEMBL13988
Oxycodone PPAP_HUMAN acid phosphatase 3 -7.86 N/A N/A 22.99% CHEMBL507996
TEST PPAP_HUMAN acid phosphatase 3 -8.39 N/A N/A 20.39% CHEMBL507996
Oxycodone PPARG_HUMAN peroxisome proliferator activated receptor gamma -7.26 -6.35 -7.52 47.93% CHEMBL419756
TEST PPARG_HUMAN peroxisome proliferator activated receptor gamma -6.50 -5.87 -6.23 43.24% CHEMBL1836977
Oxycodone PRGR_HUMAN progesterone receptor -6.90 -6.73 -8.21 40.21% CHEMBL1911657
TEST PRGR_HUMAN progesterone receptor -9.04 -9.47 -8.73 40.72% CHEMBL51933
Oxycodone PTGES_HUMAN prostaglandin E synthase -6.59 N/A N/A 39.60% CHEMBL538661
TEST PTGES_HUMAN prostaglandin E synthase -6.74 N/A N/A 37.75% CHEMBL3753433
Oxycodone SC6A4_HUMAN solute carrier family 6 member 4 -9.08 -8.86 -8.69 52.67% CHEMBL52440
TEST SC6A4_HUMAN solute carrier family 6 member 4 -9.44 -9.20 -9.29 46.48% CHEMBL434728
Oxycodone SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -6.27 N/A N/A 42.94% CHEMBL203440
TEST SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -6.25 N/A N/A 40.00% CHEMBL3662107
Oxycodone TLR4_HUMAN toll like receptor 4 -7.77 -7.49 -7.61 41.46% CHEMBL3261030
TEST TLR4_HUMAN toll like receptor 4 -8.26 -8.29 -7.17 37.84% CHEMBL3261029
Oxycodone TNFA_HUMAN tumor necrosis factor -7.83 N/A N/A 49.77% CHEMBL2337619
TEST TNFA_HUMAN tumor necrosis factor -7.88 N/A N/A 54.46% CHEMBL2337619
Oxycodone TRBM_HUMAN thrombomodulin -7.24 -7.04 N/A N/A N/A
TEST TRBM_HUMAN thrombomodulin -7.23 -7.14 N/A N/A N/A
Oxycodone TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.59 -7.06 N/A N/A N/A
TEST TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.73 -6.69 N/A N/A N/A
Oxycodone TRPM8_FICAL Uncharacterized protein -9.00 N/A N/A N/A N/A
TEST TRPM8_FICAL Uncharacterized protein -8.65 N/A N/A N/A N/A
Oxycodone TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -8.61 N/A N/A 44.51% CHEMBL2057858
TEST TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -7.83 N/A N/A 42.71% CHEMBL97968
Oxycodone TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -9.02 -8.00 N/A N/A N/A
TEST TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -8.54 -8.15 N/A N/A N/A
Oxycodone TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.99 -7.95 N/A 50.00% CHEMBL3664218
TEST TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.52 -7.86 N/A 44.88% CHEMBL3664218
Oxycodone TRXR1_HUMAN thioredoxin reductase 1 -8.35 -7.77 -6.80 N/A N/A
TEST TRXR1_HUMAN thioredoxin reductase 1 -8.46 -8.10 -7.03 N/A N/A
Oxycodone TRY1_HUMAN serine protease 1 -6.00 N/A N/A 38.81% CHEMBL69394
TEST TRY1_HUMAN serine protease 1 -6.01 N/A N/A 33.22% CHEMBL73970