Test12343 #216 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 -8.54 -8.51 -7.89 33.51% CHEMBL174141
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.64 -8.62 N/A 41.62% CHEMBL92416
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.20 -8.83 -8.57 33.82% CHEMBL3970299
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.49 -8.25 N/A 41.62% CHEMBL92416
AA1R_HUMAN adenosine A1 receptor -8.22 -8.14 -7.74 40.51% CHEMBL3754656
AA2AR_HUMAN adenosine A2a receptor -7.88 -8.10 -8.96 40.51% CHEMBL3754656
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -8.95 -8.43 -7.43 37.50% CHEMBL1770555
ACE_HUMAN angiotensin I converting enzyme -7.76 -8.00 -6.80 22.42% CHEMBL216386
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.99 N/A N/A 21.76% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -4.35 -1.48 -1.35 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -5.20 9.35 N/A 30.73% CHEMBL1090433
ACM4_HUMAN cholinergic receptor muscarinic 4 -6.63 -7.74 N/A 30.14% CHEMBL1212983
ADRB2_HUMAN adrenoceptor beta 2 -7.88 -7.38 -8.77 35.07% CHEMBL193627
AGTR2_HUMAN angiotensin II receptor type 2 -7.52 -7.28 -7.42 29.15% CHEMBL58156
ALDR_HUMAN aldo-keto reductase family 1 member B -7.66 -7.76 -7.26 30.59% CHEMBL364699
AMPN_HUMAN alanyl aminopeptidase, membrane -7.93 -8.09 -7.47 19.52% CHEMBL1077591
AOFA_HUMAN monoamine oxidase A -9.05 -9.11 -9.62 100.00% CHEMBL405110
AOFB_HUMAN monoamine oxidase B -9.12 -8.88 -8.60 42.49% CHEMBL2418210
BACE1_HUMAN beta-secretase 1 -6.79 -7.04 -8.27 35.79% CHEMBL3982458
CAH2_HUMAN carbonic anhydrase 2 -6.57 -6.30 -6.45 31.43% CHEMBL420105
CASP1_HUMAN caspase 1 -6.11 -7.32 -5.73 27.99% CHEMBL181775
CDK5_HUMAN cyclin dependent kinase 5 -7.32 -7.88 -7.59 36.49% CHEMBL1966524
CHLE_HUMAN butyrylcholinesterase -7.70 -7.62 -7.79 30.69% CHEMBL4078849
CNR1_HUMAN cannabinoid receptor 1 -6.73 -8.90 -8.88 33.92% CHEMBL1762805
CNR2_HUMAN cannabinoid receptor 2 -8.76 -8.05 N/A 33.65% CHEMBL2057795
COLI_HUMAN proopiomelanocortin -7.88 -7.68 -8.21 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.50 -5.68 -5.48 31.74% CHEMBL3425722
CRP_HUMAN C-reactive protein -5.32 -5.06 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -1.98 N/A N/A 22.40% CHEMBL464012
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.12 -6.55 -6.98 25.88% CHEMBL1644085
DRD2_HUMAN dopamine receptor D2 -7.60 N/A N/A 41.62% CHEMBL92416
DRD3_HUMAN dopamine receptor D3 -8.36 N/A N/A 33.82% CHEMBL3970299
DRD4_HUMAN dopamine receptor D4 -8.62 -8.49 N/A 33.17% CHEMBL3818799
EDN1_HUMAN endothelin 1 -7.05 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -6.69 -7.76 -7.41 31.32% CHEMBL196283
FABP5_HUMAN fatty acid binding protein 5 -7.34 -5.74 -6.07 21.63% CHEMBL3933786
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -8.95 N/A N/A 35.05% CHEMBL504950
GLRA3_HUMAN glycine receptor alpha 3 -7.74 -7.32 -7.18 15.85% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -8.61 N/A N/A 15.85% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 -7.90 -2.77 -4.90 34.16% CHEMBL1951664
HPGDS_HUMAN hematopoietic prostaglandin D synthase -8.07 -7.05 -8.40 40.88% CHEMBL3940173
HRH1_HUMAN histamine receptor H1 -6.35 N/A N/A 33.82% CHEMBL3970299
HYES_HUMAN epoxide hydrolase 2 -7.18 -9.15 -7.19 25.11% CHEMBL1957971
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -8.68 N/A N/A 45.62% CHEMBL2375678
MDR1_HUMAN ATP binding cassette subfamily B member 1 -7.87 -7.59 N/A 38.87% CHEMBL450642
MIF_HUMAN macrophage migration inhibitory factor -5.00 -6.77 -5.32 24.15% CHEMBL153074
MK01_HUMAN mitogen-activated protein kinase 1 -7.82 -7.74 -7.06 36.49% CHEMBL1966524
MK03_HUMAN mitogen-activated protein kinase 3 -8.02 -7.90 -7.71 29.03% CHEMBL213618
MTOR_HUMAN mechanistic target of rapamycin kinase -8.58 -8.62 -8.19 42.29% CHEMBL4098035
NEP_HUMAN membrane metalloendopeptidase -7.04 -7.04 -7.18 33.83% CHEMBL3677662
NK1R_HUMAN tachykinin receptor 1 -8.01 -8.02 -7.51 32.39% CHEMBL286646
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -7.24 -7.09 -7.08 12.98% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -7.72 -8.40 -7.87 28.57% CHEMBL2013205
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -7.42 -7.17 -7.08 25.32% CHEMBL163307
NOS1_HUMAN nitric oxide synthase 1 -7.50 -7.57 -7.05 36.07% CHEMBL397506
NOS2_HUMAN nitric oxide synthase 2 -6.20 -7.10 -5.70 28.82% CHEMBL555715
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -8.53 -8.60 -9.08 39.90% CHEMBL4079058
OPRD_HUMAN opioid receptor delta 1 -7.00 -6.29 -6.64 32.09% CHEMBL200940
OPRK_HUMAN opioid receptor kappa 1 -8.01 -8.01 -7.61 29.15% CHEMBL2443278
OPRM_MOUSE Mu-type opioid receptor -7.80 -7.51 N/A 25.87% CHEMBL196960
OPRX_HUMAN opioid related nociceptin receptor 1 -6.99 -6.49 -7.89 28.21% CHEMBL3394749
P2RX3_HUMAN purinergic receptor P2X 3 -5.64 -5.44 -5.87 36.41% CHEMBL3901252
P2Y12_HUMAN purinergic receptor P2Y12 -7.67 -5.04 -6.35 30.14% CHEMBL585852
PAR1_HUMAN coagulation factor II thrombin receptor -6.73 N/A N/A 32.65% CHEMBL381121
PDE4B_HUMAN phosphodiesterase 4B -7.83 -8.17 -7.84 32.68% CHEMBL2172369
PDE5A_HUMAN phosphodiesterase 5A -8.13 -8.19 -7.90 40.45% CHEMBL117108
PERM_HUMAN myeloperoxidase -7.08 -6.91 -7.06 22.47% CHEMBL3194273
PGH1_SHEEP Prostaglandin G/H synthase 1 -7.45 -7.08 -7.32 22.02% CHEMBL3892572
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -3.55 -4.39 -6.49 31.31% CHEMBL421417
PPAP_HUMAN acid phosphatase 3 -6.82 N/A N/A 12.36% CHEMBL501717
PPARG_HUMAN peroxisome proliferator activated receptor gamma -7.50 -7.55 -8.10 31.47% CHEMBL4087052
PRGR_HUMAN progesterone receptor -7.23 -5.35 -6.99 29.70% CHEMBL134260
PTGES_HUMAN prostaglandin E synthase -5.87 N/A N/A 38.58% CHEMBL2387603
SC6A4_HUMAN solute carrier family 6 member 4 -8.58 -8.14 -8.49 35.14% CHEMBL2037523
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -8.12 N/A N/A 30.97% CHEMBL3682815
TLR4_HUMAN toll like receptor 4 -7.48 -7.33 -7.00 20.08% CHEMBL4068003
TNFA_HUMAN tumor necrosis factor -7.44 N/A N/A 46.43% CHEMBL57267
TRBM_HUMAN thrombomodulin -7.54 -6.12 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.07 -6.77 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -8.58 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -7.57 N/A N/A 34.54% CHEMBL2088420
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.67 -7.78 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.39 -7.06 N/A 42.86% CHEMBL3696397
TRXR1_HUMAN thioredoxin reductase 1 -7.06 -7.17 -6.48 N/A N/A
TRY1_HUMAN serine protease 1 -6.02 N/A N/A 31.20% CHEMBL341148