STX PDCK #484 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 -7.75 -8.49 -6.96 28.88% CHEMBL350153
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -7.14 -7.36 N/A 36.36% CHEMBL80093
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.15 -7.18 -7.53 36.08% CHEMBL3898995
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -7.20 -7.62 N/A 33.51% CHEMBL325674
AA1R_HUMAN adenosine A1 receptor -6.38 -7.73 -4.71 46.31% CHEMBL329774
AA2AR_HUMAN adenosine A2a receptor -6.33 -6.59 -6.34 34.04% CHEMBL3350613
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -8.90 -7.81 -8.48 32.54% CHEMBL183394
ACE_HUMAN angiotensin I converting enzyme -8.23 -8.03 -7.39 40.41% CHEMBL342373
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -5.97 N/A N/A 25.23% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -4.88 -5.92 -8.94 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.96 -3.43 N/A 45.04% CHEMBL2022942
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.74 -6.58 N/A 40.16% CHEMBL294273
ADRB2_HUMAN adrenoceptor beta 2 -7.68 -7.47 -8.88 33.11% CHEMBL75753
AGTR2_HUMAN angiotensin II receptor type 2 -7.04 -7.22 -7.00 34.12% CHEMBL3350599
ALDR_HUMAN aldo-keto reductase family 1 member B -6.99 -6.07 -6.35 26.24% CHEMBL84446
AMPN_HUMAN alanyl aminopeptidase, membrane -9.13 -7.80 -8.03 37.89% CHEMBL2022238
AOFA_HUMAN monoamine oxidase A -7.84 -7.64 -6.84 23.85% CHEMBL394864
AOFB_HUMAN monoamine oxidase B -8.10 -6.73 -7.09 25.87% CHEMBL4302260
BACE1_HUMAN beta-secretase 1 -6.49 -6.67 -7.45 38.22% CHEMBL451950
CAH2_HUMAN carbonic anhydrase 2 -7.50 -7.16 -6.83 38.58% CHEMBL1956757
CASP1_HUMAN caspase 1 -6.47 -6.64 -6.60 39.41% CHEMBL196571
CDK5_HUMAN cyclin dependent kinase 5 -6.29 -6.82 -5.43 27.01% CHEMBL1980995
CHLE_HUMAN butyrylcholinesterase -8.01 -7.84 -7.86 33.33% CHEMBL504924
CNR1_HUMAN cannabinoid receptor 1 -6.87 -7.57 -5.25 31.58% CHEMBL527071
CNR2_HUMAN cannabinoid receptor 2 -8.02 -7.68 N/A 36.72% CHEMBL494564
COLI_HUMAN proopiomelanocortin -7.36 -7.36 -6.46 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -4.72 -6.31 -4.95 26.38% CHEMBL3819488
CRP_HUMAN C-reactive protein -6.33 -6.25 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -8.99 N/A N/A 20.71% CHEMBL3701188
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.42 -7.20 -7.11 36.09% CHEMBL1949888
DRD2_HUMAN dopamine receptor D2 -6.28 N/A N/A 35.62% CHEMBL541435
DRD3_HUMAN dopamine receptor D3 -7.40 N/A N/A 35.62% CHEMBL541435
DRD4_HUMAN dopamine receptor D4 -7.73 -7.43 N/A 30.81% CHEMBL165113
EDN1_HUMAN endothelin 1 -6.94 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -6.84 -6.76 -6.61 31.58% CHEMBL4526659
FABP5_HUMAN fatty acid binding protein 5 -7.62 -6.34 -6.28 21.18% CHEMBL4278244
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -6.77 N/A N/A 32.14% CHEMBL2221249
GLRA3_HUMAN glycine receptor alpha 3 -7.95 -7.75 -7.93 16.79% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -7.88 N/A N/A 16.79% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -8.40 -4.58 -4.42 35.62% CHEMBL3087505
HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.98 -6.87 -6.50 34.36% CHEMBL3698278
HRH1_HUMAN histamine receptor H1 -5.10 N/A N/A 34.43% CHEMBL96467
HYES_HUMAN epoxide hydrolase 2 -8.70 -8.63 -7.22 42.34% CHEMBL3222124
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -6.02 N/A N/A 29.85% CHEMBL1672879
MDR1_HUMAN ATP binding cassette subfamily B member 1 -7.39 -7.16 N/A 37.14% CHEMBL4474330
MIF_HUMAN macrophage migration inhibitory factor -5.49 -6.01 -5.75 22.06% CHEMBL554271
MK01_HUMAN mitogen-activated protein kinase 1 -6.85 -7.51 -6.70 31.72% CHEMBL3663012
MK03_HUMAN mitogen-activated protein kinase 3 -6.29 -6.78 -6.70 28.66% CHEMBL3113587
MTOR_HUMAN mechanistic target of rapamycin kinase -6.91 -7.36 -7.04 32.80% CHEMBL371029
NEP_HUMAN membrane metalloendopeptidase -7.74 -7.68 -7.40 32.92% CHEMBL3677668
NK1R_HUMAN tachykinin receptor 1 -7.52 -7.06 -6.64 37.50% CHEMBL3922759
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -7.79 -7.77 -7.51 11.86% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -8.66 -8.40 -6.87 30.54% CHEMBL4169479
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -7.73 -7.47 -7.51 23.98% CHEMBL354003
NOS1_HUMAN nitric oxide synthase 1 -7.00 -7.52 -8.65 40.94% CHEMBL1270460
NOS2_HUMAN nitric oxide synthase 2 -7.40 -8.18 -8.31 36.03% CHEMBL1037
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -6.79 -6.85 -7.13 29.34% CHEMBL4541382
OPRD_HUMAN opioid receptor delta 1 -6.46 -6.22 -6.00 37.95% CHEMBL1791447
OPRK_HUMAN opioid receptor kappa 1 -7.19 -7.26 -6.92 38.82% CHEMBL396460
OPRM_MOUSE Mu-type opioid receptor -7.28 -7.05 N/A 36.73% CHEMBL440765
OPRX_HUMAN opioid related nociceptin receptor 1 -7.20 -7.16 -7.32 38.82% CHEMBL396460
P2RX3_HUMAN purinergic receptor P2X 3 -5.91 -6.35 -5.86 26.85% CHEMBL3908238
P2Y12_HUMAN purinergic receptor P2Y12 -6.62 -5.74 -7.12 32.43% CHEMBL590254
PAR1_HUMAN coagulation factor II thrombin receptor -8.29 N/A N/A 40.62% CHEMBL3658410
PDE4B_HUMAN phosphodiesterase 4B -7.84 -8.05 -8.14 31.95% CHEMBL144633
PDE5A_HUMAN phosphodiesterase 5A -7.70 -7.65 -7.50 31.88% CHEMBL484065
PERM_HUMAN myeloperoxidase -6.79 -7.11 -7.10 24.12% CHEMBL490
PGH1_SHEEP Prostaglandin G/H synthase 1 -5.50 -5.73 -5.40 31.25% CHEMBL4535676
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -1.65 -3.46 -6.92 33.33% CHEMBL4529874
PPAP_HUMAN acid phosphatase 3 -7.72 -8.65 N/A 12.00% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -6.63 -5.95 -6.42 28.74% CHEMBL1836929
PRGR_HUMAN progesterone receptor -7.91 -8.04 -7.57 26.63% CHEMBL384975
PTGES_HUMAN prostaglandin E synthase -6.80 N/A N/A 27.81% CHEMBL3947494
SC6A4_HUMAN solute carrier family 6 member 4 -8.70 -8.04 -8.48 33.33% CHEMBL3818117
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -8.30 N/A N/A 100.00% CHEMBL501134
TLR4_HUMAN toll like receptor 4 -6.87 -7.32 -7.67 32.47% CHEMBL3354640
TNFA_HUMAN tumor necrosis factor -7.20 -6.42 -5.34 31.08% CHEMBL4299667
TRBM_HUMAN thrombomodulin -6.53 -7.55 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.24 -6.67 N/A 13.83% CHEMBL1408302
TRPM8_FICAL Uncharacterized protein -8.07 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -6.65 N/A N/A 30.86% CHEMBL239389
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.80 -7.60 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -5.23 -6.45 N/A 23.42% CHEMBL3696433
TRXR1_HUMAN thioredoxin reductase 1 -7.48 -7.49 -6.50 22.58% CHEMBL4459518
TRY1_HUMAN serine protease 1 -6.10 N/A N/A 46.36% CHEMBL112726