luyida #206 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 -8.88 -9.57 -9.29 47.47% CHEMBL420475
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.15 -10.26 N/A 53.52% CHEMBL1774062
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -9.16 -9.57 -9.75 52.06% CHEMBL203025
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -9.26 -9.23 N/A 52.06% CHEMBL203025
AA1R_HUMAN adenosine A1 receptor -9.34 -9.55 -6.62 44.04% CHEMBL242633
AA2AR_HUMAN adenosine A2a receptor -9.16 -9.50 -8.81 41.91% CHEMBL1950664
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -10.78 -10.26 -12.37 49.30% CHEMBL223443
ACE_HUMAN angiotensin I converting enzyme -8.97 -8.88 -8.19 53.33% CHEMBL44077
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.39 N/A N/A 46.64% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.67 -6.58 -4.46 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.38 1.77 N/A 54.50% CHEMBL3310802
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.56 -6.06 N/A 54.50% CHEMBL3310802
ADRB2_HUMAN adrenoceptor beta 2 -7.53 -10.17 -10.37 44.92% CHEMBL1078695
AGTR2_HUMAN angiotensin II receptor type 2 -9.01 -8.62 -8.54 46.22% CHEMBL406907
ALDR_HUMAN aldo-keto reductase family 1 member B -9.10 -9.20 -8.32 38.61% CHEMBL294612
AMPN_HUMAN alanyl aminopeptidase, membrane -9.22 -9.40 -8.27 38.99% CHEMBL261120
AOFA_HUMAN monoamine oxidase A -10.63 -10.59 -10.95 41.30% CHEMBL2333929
AOFB_HUMAN monoamine oxidase B -10.45 -11.14 -11.04 41.30% CHEMBL2333929
BACE1_HUMAN beta-secretase 1 -7.96 -7.88 -8.60 48.82% CHEMBL1934295
CAH2_HUMAN carbonic anhydrase 2 -7.93 -7.72 -7.60 35.22% CHEMBL52550
CASP1_HUMAN caspase 1 -6.89 -6.69 -6.78 47.91% CHEMBL114791
CDK5_HUMAN cyclin dependent kinase 5 -8.02 -8.13 -8.05 47.67% CHEMBL1983630
CHLE_HUMAN butyrylcholinesterase -9.36 -9.83 -9.16 49.30% CHEMBL223443
CNR1_HUMAN cannabinoid receptor 1 -7.96 -8.27 -10.53 56.17% CHEMBL1082650
CNR2_HUMAN cannabinoid receptor 2 -9.86 -9.77 N/A 54.70% CHEMBL1082330
COLI_HUMAN proopiomelanocortin -9.85 -9.71 -8.51 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -6.44 -6.94 -6.29 32.03% CHEMBL3425740
CRP_HUMAN C-reactive protein -6.20 -6.51 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -4.60 N/A N/A 34.13% CHEMBL556862
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -9.19 -6.96 -8.46 41.56% CHEMBL1650560
DRD2_HUMAN dopamine receptor D2 -9.73 N/A N/A 53.85% CHEMBL2059310
DRD3_HUMAN dopamine receptor D3 -9.49 N/A N/A 47.70% CHEMBL2165119
DRD4_HUMAN dopamine receptor D4 -10.29 -10.62 N/A 47.70% CHEMBL2165119
EDN1_HUMAN endothelin 1 -8.59 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -8.03 -8.35 -8.70 42.25% CHEMBL4075189
FABP5_HUMAN fatty acid binding protein 5 -8.91 -7.34 -7.07 47.14% CHEMBL3971182
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -8.37 N/A N/A 41.97% CHEMBL1998121
GLRA3_HUMAN glycine receptor alpha 3 -8.88 -9.22 -9.21 40.08% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -9.76 N/A N/A 40.08% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -6.22 -4.21 -4.49 49.03% CHEMBL3925795
HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.60 -7.18 -7.72 38.94% CHEMBL3425953
HRH1_HUMAN histamine receptor H1 -5.91 N/A N/A 47.76% CHEMBL2158834
HYES_HUMAN epoxide hydrolase 2 -8.99 -8.97 -9.00 51.79% CHEMBL1078337
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -8.12 N/A N/A 45.45% CHEMBL3823257
MDR1_HUMAN ATP binding cassette subfamily B member 1 -9.52 -7.98 N/A 41.77% CHEMBL1823872
MIF_HUMAN macrophage migration inhibitory factor -7.31 -8.88 -8.04 26.78% CHEMBL554271
MK01_HUMAN mitogen-activated protein kinase 1 -8.69 -8.20 -7.56 44.30% CHEMBL3921309
MK03_HUMAN mitogen-activated protein kinase 3 -8.67 -8.40 -8.51 31.37% CHEMBL213618
MTOR_HUMAN mechanistic target of rapamycin kinase -9.42 -10.47 -9.22 44.89% CHEMBL3693557
NEP_HUMAN membrane metalloendopeptidase -8.25 -8.71 -7.99 46.15% CHEMBL4061434
NK1R_HUMAN tachykinin receptor 1 -8.96 -9.00 -8.41 48.00% CHEMBL2369607
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.51 -8.27 -8.06 17.83% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -8.98 -9.43 -7.37 39.06% CHEMBL218017
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -8.44 -8.25 -8.06 33.88% CHEMBL354003
NOS1_HUMAN nitric oxide synthase 1 -9.37 -9.70 -10.43 40.98% CHEMBL3407814
NOS2_HUMAN nitric oxide synthase 2 -9.59 -10.42 -9.89 38.24% CHEMBL112866
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -8.78 -8.60 -8.38 47.67% CHEMBL1983630
OPRD_HUMAN opioid receptor delta 1 -8.23 -7.28 -7.72 49.19% CHEMBL521830
OPRK_HUMAN opioid receptor kappa 1 -9.88 -8.95 -9.62 48.96% CHEMBL198867
OPRM_MOUSE Mu-type opioid receptor -9.17 -8.36 N/A 43.75% CHEMBL2147903
OPRX_HUMAN opioid related nociceptin receptor 1 -7.77 -7.98 -8.74 48.96% CHEMBL198867
P2RX3_HUMAN purinergic receptor P2X 3 -6.46 -5.89 -6.66 51.05% CHEMBL3679789
P2Y12_HUMAN purinergic receptor P2Y12 -8.53 -7.47 -9.70 47.60% CHEMBL2402268
PAR1_HUMAN coagulation factor II thrombin receptor -9.01 N/A N/A 41.88% CHEMBL3658403
PDE4B_HUMAN phosphodiesterase 4B -9.24 -9.41 -9.16 43.37% CHEMBL1257421
PDE5A_HUMAN phosphodiesterase 5A -8.62 -9.87 -9.59 38.67% CHEMBL25616
PERM_HUMAN myeloperoxidase -9.12 -8.49 -8.59 37.04% CHEMBL2347029
PGH1_SHEEP Prostaglandin G/H synthase 1 -6.83 -9.85 -7.74 40.09% CHEMBL24798
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -2.91 -5.21 -7.99 40.81% CHEMBL95469
PPAP_HUMAN acid phosphatase 3 -8.51 N/A N/A 14.16% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -8.00 -7.73 -8.38 42.86% CHEMBL181159
PRGR_HUMAN progesterone receptor -8.59 -8.00 -8.96 44.50% CHEMBL324499
PTGES_HUMAN prostaglandin E synthase -7.80 N/A N/A 52.88% CHEMBL4101413
SC6A4_HUMAN solute carrier family 6 member 4 -10.00 -10.24 -9.64 49.20% CHEMBL1224318
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.84 N/A N/A 51.82% CHEMBL1779920
TLR4_HUMAN toll like receptor 4 -8.19 -8.41 -8.40 29.02% CHEMBL4068003
TNFA_HUMAN tumor necrosis factor -7.75 N/A N/A 47.83% CHEMBL3806296
TRBM_HUMAN thrombomodulin -7.85 -7.82 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.30 -8.34 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -10.08 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -8.97 N/A N/A 41.43% CHEMBL3911358
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.88 -8.20 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.92 -6.90 N/A 38.56% CHEMBL3949939
TRXR1_HUMAN thioredoxin reductase 1 -8.67 -7.76 -7.35 N/A N/A
TRY1_HUMAN serine protease 1 -6.84 N/A N/A 41.67% CHEMBL138709