mming #352 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 -9.76 -10.63 -8.31 40.47% CHEMBL1631533
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -10.66 -10.36 N/A 49.56% CHEMBL55784
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -9.87 -10.81 -10.19 49.56% CHEMBL55784
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -10.85 -10.98 N/A 49.56% CHEMBL55784
AA1R_HUMAN adenosine A1 receptor -8.75 -9.17 -7.53 40.64% CHEMBL405696
AA2AR_HUMAN adenosine A2a receptor -8.76 -8.50 -9.20 40.64% CHEMBL405696
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -10.59 -9.21 -6.64 39.17% CHEMBL451304
ACE_HUMAN angiotensin I converting enzyme -9.91 -9.44 -8.31 33.80% CHEMBL1242210
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.55 N/A N/A 23.86% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit 0.49 -4.57 -3.64 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -2.80 15.97 N/A 36.11% CHEMBL2059307
ACM4_HUMAN cholinergic receptor muscarinic 4 -4.11 -7.71 N/A 36.89% CHEMBL4065477
ADRB2_HUMAN adrenoceptor beta 2 -8.87 -9.66 -9.96 34.54% CHEMBL1814271
AGTR2_HUMAN angiotensin II receptor type 2 -9.02 -8.79 -9.11 33.89% CHEMBL305647
ALDR_HUMAN aldo-keto reductase family 1 member B -9.71 -10.05 -9.10 35.63% CHEMBL303779
AMPN_HUMAN alanyl aminopeptidase, membrane -9.10 -9.75 -8.97 30.15% CHEMBL1828920
AOFA_HUMAN monoamine oxidase A -10.47 -10.07 -8.44 32.08% CHEMBL1796446
AOFB_HUMAN monoamine oxidase B -9.29 -8.86 -11.19 35.66% CHEMBL3604128
BACE1_HUMAN beta-secretase 1 -7.91 -7.99 -9.29 40.89% CHEMBL3261077
CAH2_HUMAN carbonic anhydrase 2 -7.84 -7.76 -7.35 32.76% CHEMBL2047845
CASP1_HUMAN caspase 1 -6.73 -7.37 -6.77 39.64% CHEMBL115336
CDK5_HUMAN cyclin dependent kinase 5 -7.66 -7.75 -7.15 34.35% CHEMBL1516890
CHLE_HUMAN butyrylcholinesterase -9.45 -9.28 -9.20 39.17% CHEMBL451304
CNR1_HUMAN cannabinoid receptor 1 -8.90 -9.16 -9.81 40.82% CHEMBL514543
CNR2_HUMAN cannabinoid receptor 2 -8.62 -11.06 N/A 40.82% CHEMBL514543
COLI_HUMAN proopiomelanocortin -9.09 -8.59 -8.38 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -7.06 -7.38 -7.23 24.91% CHEMBL3425740
CRP_HUMAN C-reactive protein -6.75 -6.73 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 2.01 N/A N/A 36.65% CHEMBL430116
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -9.26 -8.40 -8.63 39.92% CHEMBL570300
DRD2_HUMAN dopamine receptor D2 -9.01 N/A N/A 48.02% CHEMBL3818935
DRD3_HUMAN dopamine receptor D3 -10.46 N/A N/A 48.02% CHEMBL3818935
DRD4_HUMAN dopamine receptor D4 -11.31 -10.43 N/A 48.02% CHEMBL3818935
EDN1_HUMAN endothelin 1 -8.69 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -6.30 -6.30 -7.81 35.08% CHEMBL4080245
FABP5_HUMAN fatty acid binding protein 5 -5.73 -6.80 -6.86 25.93% CHEMBL3959018
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -8.06 N/A N/A 37.75% CHEMBL3577124
GLRA3_HUMAN glycine receptor alpha 3 -9.14 -8.08 -7.94 22.15% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -8.96 N/A N/A 22.15% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -6.33 -0.45 -6.04 36.52% CHEMBL3600423
HPGDS_HUMAN hematopoietic prostaglandin D synthase -8.21 -7.43 -8.45 35.98% CHEMBL3425955
HRH1_HUMAN histamine receptor H1 -5.41 N/A N/A 48.02% CHEMBL3818935
HYES_HUMAN epoxide hydrolase 2 -9.73 -9.55 -9.65 40.39% CHEMBL1818409
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -8.79 N/A N/A 35.25% CHEMBL260092
MDR1_HUMAN ATP binding cassette subfamily B member 1 -9.69 -9.23 N/A 31.94% CHEMBL2074675
MIF_HUMAN macrophage migration inhibitory factor -3.70 -7.12 -6.81 28.44% CHEMBL1604170
MK01_HUMAN mitogen-activated protein kinase 1 -7.58 -7.56 -8.06 37.55% CHEMBL3671110
MK03_HUMAN mitogen-activated protein kinase 3 -8.38 -9.06 -9.57 30.04% CHEMBL1336
MTOR_HUMAN mechanistic target of rapamycin kinase -9.92 -10.45 -10.58 36.21% CHEMBL3925661
NEP_HUMAN membrane metalloendopeptidase -8.02 -8.57 -7.81 30.24% CHEMBL301364
NK1R_HUMAN tachykinin receptor 1 -9.44 -9.15 -9.19 44.44% CHEMBL3651892
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.42 -8.17 -8.56 18.58% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -9.14 -8.62 -8.04 37.45% CHEMBL569802
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -8.52 -8.15 -8.56 35.21% CHEMBL163541
NOS1_HUMAN nitric oxide synthase 1 -9.30 -9.32 -7.73 35.29% CHEMBL3586662
NOS2_HUMAN nitric oxide synthase 2 -6.19 -8.20 30.90 34.15% CHEMBL447183
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -8.05 -9.22 -9.36 40.91% CHEMBL3962283
OPRD_HUMAN opioid receptor delta 1 -8.11 -7.38 -8.48 40.09% CHEMBL27460
OPRK_HUMAN opioid receptor kappa 1 -9.88 -8.76 -8.71 42.48% CHEMBL239824
OPRM_MOUSE Mu-type opioid receptor -9.12 -9.32 N/A 35.80% CHEMBL185687
OPRX_HUMAN opioid related nociceptin receptor 1 -8.78 -8.52 -9.01 42.48% CHEMBL239824
P2RX3_HUMAN purinergic receptor P2X 3 -6.26 -5.93 -6.71 39.45% CHEMBL3669855
P2Y12_HUMAN purinergic receptor P2Y12 -9.60 -5.19 -8.20 33.21% CHEMBL1784191
PAR1_HUMAN coagulation factor II thrombin receptor -7.55 N/A N/A 37.46% CHEMBL71140
PDE4B_HUMAN phosphodiesterase 4B -9.35 -9.10 -10.09 36.89% CHEMBL251107
PDE5A_HUMAN phosphodiesterase 5A -8.72 -10.26 -8.98 35.43% CHEMBL551948
PERM_HUMAN myeloperoxidase -9.24 -9.40 -9.44 28.57% CHEMBL2347034
PGH1_SHEEP Prostaglandin G/H synthase 1 -7.19 -8.78 -8.39 32.59% CHEMBL3775653
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -1.24 -5.00 -7.54 35.62% CHEMBL4096865
PPAP_HUMAN acid phosphatase 3 -8.43 N/A N/A 11.49% CHEMBL501717
PPARG_HUMAN peroxisome proliferator activated receptor gamma -8.47 -8.82 -8.37 34.42% CHEMBL272962
PRGR_HUMAN progesterone receptor -3.26 -2.58 -7.42 36.63% CHEMBL366182
PTGES_HUMAN prostaglandin E synthase -7.24 N/A N/A 39.83% CHEMBL4092750
SC6A4_HUMAN solute carrier family 6 member 4 -10.76 -10.19 -11.40 39.65% CHEMBL3818478
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -8.15 N/A N/A 38.05% CHEMBL3337596
TLR4_HUMAN toll like receptor 4 -8.65 -8.73 -8.40 26.58% CHEMBL2419475
TNFA_HUMAN tumor necrosis factor -7.83 N/A N/A 34.00% CHEMBL3640406
TRBM_HUMAN thrombomodulin -7.97 -7.50 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.41 -7.97 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -10.51 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -8.77 N/A N/A 44.34% CHEMBL175383
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.01 -7.77 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -7.43 -7.44 N/A 31.67% CHEMBL3696385
TRXR1_HUMAN thioredoxin reductase 1 -8.72 -7.92 -7.40 N/A N/A
TRY1_HUMAN serine protease 1 -6.70 N/A N/A 40.15% CHEMBL436851