Sal-EOM #485 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 -7.30 -8.05 -6.64 26.17% CHEMBL82488
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.84 -6.25 N/A 41.55% CHEMBL3676849
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.53 -8.64 -8.88 33.88% CHEMBL1909065
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.18 -8.54 N/A 33.88% CHEMBL1909065
AA1R_HUMAN adenosine A1 receptor -7.91 -8.37 -3.53 23.16% CHEMBL162752
AA2AR_HUMAN adenosine A2a receptor -5.99 -6.46 -5.40 22.22% CHEMBL2381770
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.31 -8.63 -7.97 37.33% CHEMBL4633410
ACE_HUMAN angiotensin I converting enzyme -8.31 -8.50 -6.04 27.33% CHEMBL284898
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.83 N/A N/A 13.66% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit 4.58 0.10 -4.92 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -6.30 10.80 N/A 35.42% CHEMBL75217
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.02 -5.84 N/A 34.92% CHEMBL285440
ADRB2_HUMAN adrenoceptor beta 2 -6.94 -6.04 -8.77 33.73% CHEMBL1431082
AGTR2_HUMAN angiotensin II receptor type 2 -7.69 -7.88 -7.58 18.37% CHEMBL214592
ALDR_HUMAN aldo-keto reductase family 1 member B -8.37 -7.74 -7.33 29.45% CHEMBL284616
AMPN_HUMAN alanyl aminopeptidase, membrane -8.87 -9.13 -8.82 22.86% CHEMBL1821978
AOFA_HUMAN monoamine oxidase A -7.65 -7.49 -0.91 31.82% CHEMBL488917
AOFB_HUMAN monoamine oxidase B -7.32 -2.86 -4.11 33.33% CHEMBL1830818
BACE1_HUMAN beta-secretase 1 -7.04 -8.23 -8.47 33.08% CHEMBL3586204
CAH2_HUMAN carbonic anhydrase 2 -7.51 -7.99 -8.15 33.85% CHEMBL3137782
CASP1_HUMAN caspase 1 -6.04 -6.73 -6.61 36.42% CHEMBL1222905
CDK5_HUMAN cyclin dependent kinase 5 -6.49 -5.55 -5.38 21.63% CHEMBL422897
CHLE_HUMAN butyrylcholinesterase -9.12 -8.62 -8.79 28.57% CHEMBL3586200
CNR1_HUMAN cannabinoid receptor 1 -7.76 -5.96 -6.50 30.77% CHEMBL233637
CNR2_HUMAN cannabinoid receptor 2 -5.65 -9.58 N/A 30.77% CHEMBL233637
COLI_HUMAN proopiomelanocortin -7.15 -7.45 -5.96 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.69 -5.95 -5.39 21.68% CHEMBL1091981
CRP_HUMAN C-reactive protein -5.91 -5.65 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -0.28 N/A N/A 24.18% CHEMBL246733
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.83 -7.09 -7.76 21.07% CHEMBL1221944
DRD2_HUMAN dopamine receptor D2 -7.13 N/A N/A 41.55% CHEMBL3676849
DRD3_HUMAN dopamine receptor D3 -7.85 N/A N/A 41.55% CHEMBL3676849
DRD4_HUMAN dopamine receptor D4 -8.05 -8.44 N/A 31.01% CHEMBL3318841
EDN1_HUMAN endothelin 1 -7.29 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -5.05 -5.12 -4.99 39.11% CHEMBL486386
FABP5_HUMAN fatty acid binding protein 5 -8.88 -6.71 -6.17 38.66% CHEMBL4288603
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -7.21 N/A N/A 29.07% CHEMBL506247
GLRA3_HUMAN glycine receptor alpha 3 -7.75 -7.61 -7.77 14.64% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -9.86 N/A N/A 14.64% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 0.70 0.01 -0.09 23.03% CHEMBL92162
HPGDS_HUMAN hematopoietic prostaglandin D synthase -5.55 -6.94 -6.10 17.68% CHEMBL4463046
HRH1_HUMAN histamine receptor H1 2.57 N/A N/A 25.74% CHEMBL1201203
HYES_HUMAN epoxide hydrolase 2 -8.52 -8.01 -8.61 34.06% CHEMBL4207574
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -7.25 N/A N/A 28.93% CHEMBL3318173
MDR1_HUMAN ATP binding cassette subfamily B member 1 -7.94 -7.58 N/A 51.61% CHEMBL1829519
MIF_HUMAN macrophage migration inhibitory factor -5.32 -5.63 -5.61 25.88% CHEMBL211882
MK01_HUMAN mitogen-activated protein kinase 1 -6.82 -6.84 -7.62 29.07% CHEMBL506247
MK03_HUMAN mitogen-activated protein kinase 3 -6.06 -6.66 -6.58 26.21% CHEMBL1934583
MTOR_HUMAN mechanistic target of rapamycin kinase -9.48 -8.46 -8.95 36.10% CHEMBL428496
NEP_HUMAN membrane metalloendopeptidase -8.21 -7.68 -7.47 30.95% CHEMBL4070297
NK1R_HUMAN tachykinin receptor 1 -8.05 -6.88 -6.75 40.60% CHEMBL378984
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.66 -7.86 -6.86 10.99% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -7.35 -6.75 -6.02 31.82% CHEMBL4169479
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -8.81 -7.87 -6.86 17.49% CHEMBL325890
NOS1_HUMAN nitric oxide synthase 1 -7.22 -7.25 -7.48 18.18% CHEMBL4530822
NOS2_HUMAN nitric oxide synthase 2 -5.88 -7.47 -4.00 21.43% CHEMBL1037
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -7.80 -7.52 -8.19 22.13% CHEMBL444109
OPRD_HUMAN opioid receptor delta 1 -7.14 -6.66 -7.18 73.23% CHEMBL3330670
OPRK_HUMAN opioid receptor kappa 1 -9.75 -8.01 -8.12 100.00% CHEMBL272939
OPRM_MOUSE Mu-type opioid receptor -7.97 -8.29 N/A 27.72% CHEMBL2205421
OPRX_HUMAN opioid related nociceptin receptor 1 -7.64 -6.62 -7.36 32.50% CHEMBL3581762
P2RX3_HUMAN purinergic receptor P2X 3 -6.32 -6.02 -5.76 25.48% CHEMBL3669841
P2Y12_HUMAN purinergic receptor P2Y12 -7.03 -1.22 -6.62 26.97% CHEMBL420980
PAR1_HUMAN coagulation factor II thrombin receptor -6.13 N/A N/A 30.37% CHEMBL2012510
PDE4B_HUMAN phosphodiesterase 4B -7.22 -8.16 -7.93 28.21% CHEMBL2063002
PDE5A_HUMAN phosphodiesterase 5A -6.67 -7.41 -7.49 25.31% CHEMBL497293
PERM_HUMAN myeloperoxidase -8.03 -7.96 -7.91 23.13% CHEMBL278555
PGH1_SHEEP Prostaglandin G/H synthase 1 -2.76 -4.14 -2.59 33.81% CHEMBL447689
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 5.13 2.52 -6.30 38.06% CHEMBL516139
PPAP_HUMAN acid phosphatase 3 -8.23 -8.07 N/A 9.70% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -7.50 -6.26 -7.48 40.34% CHEMBL3337640
PRGR_HUMAN progesterone receptor -6.98 -5.00 -8.69 31.44% CHEMBL1676
PTGES_HUMAN prostaglandin E synthase -5.76 N/A N/A 27.35% CHEMBL3289107
SC6A4_HUMAN solute carrier family 6 member 4 -8.79 -8.80 -8.28 38.46% CHEMBL2012104
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -6.13 N/A N/A 32.06% CHEMBL381488
TLR4_HUMAN toll like receptor 4 -7.01 -6.60 -6.74 31.76% CHEMBL1910027
TNFA_HUMAN tumor necrosis factor -7.68 -7.35 -5.76 27.57% CHEMBL3983488
TRBM_HUMAN thrombomodulin -6.67 -6.79 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -6.90 -6.31 N/A 15.03% CHEMBL1408302
TRPM8_FICAL Uncharacterized protein -9.44 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -8.15 N/A N/A 33.51% CHEMBL99940
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.12 -6.94 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -7.20 -5.96 N/A 19.17% CHEMBL3664218
TRXR1_HUMAN thioredoxin reductase 1 -9.31 -7.80 -6.66 15.95% CHEMBL4281382
TRY1_HUMAN serine protease 1 -5.68 N/A N/A 38.05% CHEMBL101030