LJ143 #499 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 -6.80 -6.74 -7.38 18.07% CHEMBL136470
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -6.46 -6.94 N/A 38.81% CHEMBL473765
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -6.67 -6.89 -7.11 37.14% CHEMBL547
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -6.76 -6.79 N/A 32.47% CHEMBL1123
AA1R_HUMAN adenosine A1 receptor -6.72 -6.46 -7.11 29.58% CHEMBL3314905
AA2AR_HUMAN adenosine A2a receptor -6.94 -7.05 -6.85 29.58% CHEMBL3314905
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -7.23 -6.67 -7.38 44.07% CHEMBL3586199
ACE_HUMAN angiotensin I converting enzyme -6.17 -6.38 -6.21 30.99% CHEMBL128223
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -5.51 N/A N/A 10.94% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.64 -7.41 -7.65 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.87 -7.14 N/A 44.57% CHEMBL277642
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.53 -7.11 N/A 44.57% CHEMBL301670
ADRB2_HUMAN adrenoceptor beta 2 -6.61 -6.88 -7.00 24.79% CHEMBL1569630
AGTR2_HUMAN angiotensin II receptor type 2 -6.55 -6.64 -6.48 15.38% CHEMBL423236
ALDR_HUMAN aldo-keto reductase family 1 member B -7.78 -6.95 -7.36 32.11% CHEMBL284616
AMPN_HUMAN alanyl aminopeptidase, membrane -6.00 -7.01 -6.09 24.00% CHEMBL3298946
AOFA_HUMAN monoamine oxidase A -6.81 -6.86 -7.50 33.04% CHEMBL332223
AOFB_HUMAN monoamine oxidase B -7.49 -7.67 -7.34 31.71% CHEMBL4636696
BACE1_HUMAN beta-secretase 1 -5.69 -5.87 -6.06 39.13% CHEMBL3586197
CAH2_HUMAN carbonic anhydrase 2 -6.37 -6.23 -6.05 34.48% CHEMBL3329923
CASP1_HUMAN caspase 1 -4.91 -6.19 -4.77 56.99% CHEMBL400514
CDK5_HUMAN cyclin dependent kinase 5 -6.38 -6.87 -7.55 16.79% CHEMBL1969843
CHLE_HUMAN butyrylcholinesterase -6.65 -7.06 -7.10 43.62% CHEMBL3586200
CNR1_HUMAN cannabinoid receptor 1 -6.72 -7.06 -7.45 52.86% CHEMBL187349
CNR2_HUMAN cannabinoid receptor 2 -6.98 -7.20 N/A 51.43% CHEMBL122972
COLI_HUMAN proopiomelanocortin -6.73 -6.70 -5.16 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.18 -5.02 -5.16 14.97% CHEMBL1089630
CRP_HUMAN C-reactive protein -5.03 -4.91 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.22 N/A N/A 14.87% CHEMBL556862
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.20 -5.76 -6.25 25.89% CHEMBL1221944
DRD2_HUMAN dopamine receptor D2 -6.19 N/A N/A 31.37% CHEMBL75860
DRD3_HUMAN dopamine receptor D3 -6.87 N/A N/A 44.26% CHEMBL1200633
DRD4_HUMAN dopamine receptor D4 -6.91 -7.15 N/A 24.77% CHEMBL299479
EDN1_HUMAN endothelin 1 -6.04 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -6.70 -6.47 -6.53 42.42% CHEMBL4072205
FABP5_HUMAN fatty acid binding protein 5 -6.29 -4.56 -4.61 42.62% CHEMBL8659
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -6.80 N/A N/A 23.18% CHEMBL1097700
GLRA3_HUMAN glycine receptor alpha 3 -6.77 -6.83 -6.76 8.85% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -7.23 N/A N/A 8.85% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -7.57 -7.93 -7.58 26.76% CHEMBL194246
HPGDS_HUMAN hematopoietic prostaglandin D synthase -6.48 -4.89 -6.53 39.53% CHEMBL1743209
HRH1_HUMAN histamine receptor H1 -7.58 N/A N/A 30.10% CHEMBL1101
HYES_HUMAN epoxide hydrolase 2 -6.41 -6.63 -7.06 44.32% CHEMBL305446
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -6.62 N/A N/A 50.00% CHEMBL3114503
MDR1_HUMAN ATP binding cassette subfamily B member 1 -6.20 -6.21 N/A 61.33% CHEMBL2074838
MIF_HUMAN macrophage migration inhibitory factor -6.31 -6.39 -6.06 39.55% CHEMBL2375653
MK01_HUMAN mitogen-activated protein kinase 1 -6.29 -5.96 -6.74 53.76% CHEMBL517080
MK03_HUMAN mitogen-activated protein kinase 3 -6.54 -6.54 -6.09 53.76% CHEMBL517080
MTOR_HUMAN mechanistic target of rapamycin kinase -6.84 -7.34 -7.05 43.08% CHEMBL169
NEP_HUMAN membrane metalloendopeptidase -6.41 -6.64 -6.76 22.22% CHEMBL434492
NK1R_HUMAN tachykinin receptor 1 -6.62 -7.16 -6.54 27.13% CHEMBL435564
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -6.84 -6.95 -6.95 11.30% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -7.14 -7.15 -7.51 20.59% CHEMBL4159233
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -6.88 -7.01 -6.95 12.44% CHEMBL162400
NOS1_HUMAN nitric oxide synthase 1 -7.14 -7.18 -6.67 20.00% CHEMBL1270460
NOS2_HUMAN nitric oxide synthase 2 -6.86 -6.41 -7.14 36.49% CHEMBL1765578
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -7.32 -7.26 -7.20 24.02% CHEMBL444109
OPRD_HUMAN opioid receptor delta 1 -6.37 -5.55 -6.10 35.59% CHEMBL1161424
OPRK_HUMAN opioid receptor kappa 1 -6.92 -7.12 -6.61 50.00% CHEMBL1773748
OPRM_MOUSE Mu-type opioid receptor -6.70 -6.48 N/A 29.00% CHEMBL2057689
OPRX_HUMAN opioid related nociceptin receptor 1 -6.06 -5.63 -6.58 24.27% CHEMBL3325748
P2RX3_HUMAN purinergic receptor P2X 3 -4.88 -4.44 -4.43 39.66% CHEMBL290814
P2Y12_HUMAN purinergic receptor P2Y12 -6.94 -6.36 -6.66 21.95% CHEMBL509456
PAR1_HUMAN coagulation factor II thrombin receptor -7.04 N/A N/A 37.40% CHEMBL234804
PDE4B_HUMAN phosphodiesterase 4B -6.72 -7.51 -7.30 32.26% CHEMBL2063002
PDE5A_HUMAN phosphodiesterase 5A -6.59 -7.16 -6.55 18.35% CHEMBL190364
PERM_HUMAN myeloperoxidase -6.57 -6.75 -6.56 17.83% CHEMBL278555
PGH1_SHEEP Prostaglandin G/H synthase 1 -6.57 -7.03 -7.13 52.31% CHEMBL503071
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -5.63 -6.13 -7.11 62.34% CHEMBL512400
PPAP_HUMAN acid phosphatase 3 -6.46 -6.26 N/A 9.68% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -6.43 -6.76 -6.04 77.27% CHEMBL2178586
PRGR_HUMAN progesterone receptor -6.68 -6.64 -6.69 68.57% CHEMBL3695600
PTGES_HUMAN prostaglandin E synthase -5.75 N/A N/A 62.50% CHEMBL3289100
SC6A4_HUMAN solute carrier family 6 member 4 -7.06 -7.10 -7.05 41.03% CHEMBL185169
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.36 N/A N/A 27.89% CHEMBL3657902
TLR4_HUMAN toll like receptor 4 -6.40 -6.09 -6.98 39.17% CHEMBL4071705
TNFA_HUMAN tumor necrosis factor -6.05 -6.00 -4.68 24.47% CHEMBL2337623
TRBM_HUMAN thrombomodulin -5.97 -5.20 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -5.45 -5.49 N/A 8.45% CHEMBL1408302
TRPM8_FICAL Uncharacterized protein -7.19 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -6.25 N/A N/A 41.41% CHEMBL98634
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -5.82 -6.51 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.03 -5.79 N/A 17.83% CHEMBL3664218
TRXR1_HUMAN thioredoxin reductase 1 -6.06 -6.23 -5.17 22.63% CHEMBL4459518
TRY1_HUMAN serine protease 1 -4.80 N/A N/A 56.00% CHEMBL457155