MB Joe #210 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 -8.03 -8.07 -8.53 33.69% CHEMBL174141
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.03 -8.44 N/A 41.85% CHEMBL92416
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.99 -8.38 -8.36 33.33% CHEMBL3970299
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.22 -8.04 N/A 41.85% CHEMBL92416
AA1R_HUMAN adenosine A1 receptor -8.01 -7.85 -7.55 40.72% CHEMBL3754656
AA2AR_HUMAN adenosine A2a receptor -7.80 -8.04 -8.56 40.72% CHEMBL3754656
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -8.73 -8.36 -7.23 37.68% CHEMBL1770555
ACE_HUMAN angiotensin I converting enzyme -7.95 -7.51 -6.65 22.52% CHEMBL216386
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.72 N/A N/A 21.85% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.13 -3.92 -2.53 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -5.45 5.73 N/A 30.89% CHEMBL1090433
ACM4_HUMAN cholinergic receptor muscarinic 4 -6.68 -7.50 N/A 30.28% CHEMBL1212983
ADRB2_HUMAN adrenoceptor beta 2 -7.85 -7.57 -8.37 35.24% CHEMBL193627
AGTR2_HUMAN angiotensin II receptor type 2 -7.31 -7.20 -7.17 29.27% CHEMBL58156
ALDR_HUMAN aldo-keto reductase family 1 member B -7.89 -8.37 -8.05 30.52% CHEMBL370478
AMPN_HUMAN alanyl aminopeptidase, membrane -7.48 -8.35 -7.18 19.60% CHEMBL1077591
AOFA_HUMAN monoamine oxidase A -9.10 -9.19 -9.89 100.00% CHEMBL191083
AOFB_HUMAN monoamine oxidase B -9.19 -9.50 -9.44 42.71% CHEMBL2418210
BACE1_HUMAN beta-secretase 1 -6.49 -6.77 -8.00 35.42% CHEMBL3982458
CAH2_HUMAN carbonic anhydrase 2 -6.27 -6.37 -6.21 31.02% CHEMBL420105
CASP1_HUMAN caspase 1 -5.95 -6.56 -5.51 28.09% CHEMBL181775
CDK5_HUMAN cyclin dependent kinase 5 -7.78 -7.49 -8.13 36.65% CHEMBL1966524
CHLE_HUMAN butyrylcholinesterase -7.51 -7.50 -7.73 30.85% CHEMBL4078849
CNR1_HUMAN cannabinoid receptor 1 -7.50 -8.58 -9.12 33.48% CHEMBL1762805
CNR2_HUMAN cannabinoid receptor 2 -8.59 -8.06 N/A 33.81% CHEMBL2057795
COLI_HUMAN proopiomelanocortin -7.76 -7.73 -8.29 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.68 -5.80 -5.59 31.93% CHEMBL3425722
CRP_HUMAN C-reactive protein -5.20 -5.00 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -2.85 N/A N/A 22.49% CHEMBL464012
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.94 -6.07 -7.43 25.99% CHEMBL1644085
DRD2_HUMAN dopamine receptor D2 -8.39 N/A N/A 41.85% CHEMBL92416
DRD3_HUMAN dopamine receptor D3 -7.52 N/A N/A 33.33% CHEMBL2037521
DRD4_HUMAN dopamine receptor D4 -8.31 -8.24 N/A 33.33% CHEMBL3818799
EDN1_HUMAN endothelin 1 -7.17 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -6.02 -6.84 -7.10 31.49% CHEMBL196283
FABP5_HUMAN fatty acid binding protein 5 -6.89 -5.59 -5.59 21.70% CHEMBL3933786
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -8.41 N/A N/A 35.23% CHEMBL504950
GLRA3_HUMAN glycine receptor alpha 3 -7.31 -6.93 -6.81 15.91% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -8.33 N/A N/A 15.91% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 -7.58 -4.12 -5.00 34.33% CHEMBL1951664
HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.93 -7.98 -8.49 41.11% CHEMBL3940173
HRH1_HUMAN histamine receptor H1 -6.64 N/A N/A 33.33% CHEMBL3970299
HYES_HUMAN epoxide hydrolase 2 -7.90 -8.83 -7.00 25.22% CHEMBL1957971
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -8.75 N/A N/A 45.83% CHEMBL2375678
MDR1_HUMAN ATP binding cassette subfamily B member 1 -7.61 -7.51 N/A 39.02% CHEMBL450642
MIF_HUMAN macrophage migration inhibitory factor -5.50 -7.24 -6.64 24.26% CHEMBL153074
MK01_HUMAN mitogen-activated protein kinase 1 -7.48 -7.18 -6.83 36.65% CHEMBL1966524
MK03_HUMAN mitogen-activated protein kinase 3 -7.85 -7.55 -7.33 28.63% CHEMBL213618
MTOR_HUMAN mechanistic target of rapamycin kinase -8.31 -8.55 -8.07 42.48% CHEMBL4098035
NEP_HUMAN membrane metalloendopeptidase -6.99 -7.09 -7.23 34.00% CHEMBL3677662
NK1R_HUMAN tachykinin receptor 1 -7.32 -7.58 -7.17 31.98% CHEMBL286646
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.16 -7.45 -6.86 12.50% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -7.75 -7.88 -8.19 28.71% CHEMBL2013205
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -8.21 -7.52 -6.86 24.89% CHEMBL163307
NOS1_HUMAN nitric oxide synthase 1 -7.76 -7.79 -7.63 36.26% CHEMBL397506
NOS2_HUMAN nitric oxide synthase 2 -5.85 -7.91 -6.11 28.99% CHEMBL555715
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -9.49 -9.30 -9.34 40.10% CHEMBL4079058
OPRD_HUMAN opioid receptor delta 1 -6.69 -5.96 -6.23 32.24% CHEMBL200940
OPRK_HUMAN opioid receptor kappa 1 -7.83 -7.83 -7.35 29.29% CHEMBL2443278
OPRM_MOUSE Mu-type opioid receptor -7.63 -7.47 N/A 26.00% CHEMBL196960
OPRX_HUMAN opioid related nociceptin receptor 1 -6.57 -6.58 -7.04 28.33% CHEMBL3394749
P2RX3_HUMAN purinergic receptor P2X 3 -5.41 -5.38 -5.83 35.94% CHEMBL3901252
P2Y12_HUMAN purinergic receptor P2Y12 -7.17 -5.47 -6.87 30.28% CHEMBL585852
PAR1_HUMAN coagulation factor II thrombin receptor -7.31 N/A N/A 32.82% CHEMBL381121
PDE4B_HUMAN phosphodiesterase 4B -7.89 -7.91 -8.08 32.52% CHEMBL2385572
PDE5A_HUMAN phosphodiesterase 5A -7.89 -8.06 -8.04 40.68% CHEMBL117108
PERM_HUMAN myeloperoxidase -7.17 -6.98 -6.95 22.60% CHEMBL3194273
PGH1_SHEEP Prostaglandin G/H synthase 1 -7.84 -8.04 -8.42 22.12% CHEMBL3892572
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -5.35 -5.78 -6.31 31.46% CHEMBL421417
PPAP_HUMAN acid phosphatase 3 -6.37 N/A N/A 11.80% CHEMBL501717
PPARG_HUMAN peroxisome proliferator activated receptor gamma -7.43 -7.74 -7.83 31.03% CHEMBL4087052
PRGR_HUMAN progesterone receptor -7.84 -7.37 -7.49 29.85% CHEMBL134260
PTGES_HUMAN prostaglandin E synthase -6.06 N/A N/A 38.07% CHEMBL2387603
SC6A4_HUMAN solute carrier family 6 member 4 -8.24 -7.53 -8.05 35.33% CHEMBL2037523
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -8.28 N/A N/A 31.11% CHEMBL3682815
TLR4_HUMAN toll like receptor 4 -7.38 -7.21 -6.77 20.16% CHEMBL4068003
TNFA_HUMAN tumor necrosis factor -7.29 N/A N/A 46.71% CHEMBL57267
TRBM_HUMAN thrombomodulin -7.03 -6.06 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -6.18 -6.33 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -7.98 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -7.53 N/A N/A 34.72% CHEMBL2088420
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.69 -7.67 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.02 -7.22 N/A 43.08% CHEMBL3696397
TRXR1_HUMAN thioredoxin reductase 1 -6.68 -7.06 -6.17 N/A N/A
TRY1_HUMAN serine protease 1 -5.84 N/A N/A 31.33% CHEMBL341148