Compound-103 #246 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 -11.06 -11.08 -10.82 60.87% CHEMBL191460
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -12.11 -11.92 N/A 70.42% CHEMBL234826
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -11.15 -10.78 -11.13 67.05% CHEMBL475245
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -10.32 -12.23 N/A 60.87% CHEMBL191460
AA1R_HUMAN adenosine A1 receptor -10.04 -10.81 -8.25 40.30% CHEMBL3765526
AA2AR_HUMAN adenosine A2a receptor -10.56 -10.67 -10.03 43.55% CHEMBL194704
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -10.26 -9.93 -7.31 74.24% CHEMBL56470
ACE_HUMAN angiotensin I converting enzyme -9.31 -9.80 -7.74 47.71% CHEMBL435360
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.98 N/A N/A 22.78% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -8.75 -8.57 -6.83 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.71 6.09 N/A 65.48% CHEMBL3600801
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.15 -9.11 N/A 55.81% CHEMBL130835
ADRB2_HUMAN adrenoceptor beta 2 -10.10 -11.13 -12.00 60.92% CHEMBL1524289
AGTR2_HUMAN angiotensin II receptor type 2 -10.59 -11.09 -10.56 43.64% CHEMBL376286
ALDR_HUMAN aldo-keto reductase family 1 member B -10.73 -10.79 -9.84 37.88% CHEMBL4071420
AMPN_HUMAN alanyl aminopeptidase, membrane -10.06 -10.04 -9.00 39.00% CHEMBL2204959
AOFA_HUMAN monoamine oxidase A -12.24 -12.18 -11.63 46.94% CHEMBL3781494
AOFB_HUMAN monoamine oxidase B -11.85 -12.17 -12.10 49.07% CHEMBL1814072
BACE1_HUMAN beta-secretase 1 -7.41 -8.34 -8.78 57.61% CHEMBL3354252
CAH2_HUMAN carbonic anhydrase 2 -8.89 -8.62 -8.82 54.79% CHEMBL3092749
CASP1_HUMAN caspase 1 -7.81 -7.96 -7.39 50.50% CHEMBL590028
CDK5_HUMAN cyclin dependent kinase 5 -9.31 -9.67 -10.83 51.65% CHEMBL1990254
CHLE_HUMAN butyrylcholinesterase -9.76 -9.45 -10.15 62.50% CHEMBL4077386
CNR1_HUMAN cannabinoid receptor 1 -11.09 -10.04 -10.64 61.70% CHEMBL3397448
CNR2_HUMAN cannabinoid receptor 2 -12.31 -10.65 N/A 66.67% CHEMBL579193
COLI_HUMAN proopiomelanocortin -10.16 -9.77 -9.74 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -7.67 -7.67 -7.38 33.33% CHEMBL3818719
CRP_HUMAN C-reactive protein -6.45 -5.86 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -0.88 N/A N/A 26.78% CHEMBL556862
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -9.65 -7.96 -8.66 59.15% CHEMBL2170299
DRD2_HUMAN dopamine receptor D2 -11.50 N/A N/A 70.51% CHEMBL185156
DRD3_HUMAN dopamine receptor D3 -10.77 N/A N/A 92.54% CHEMBL485227
DRD4_HUMAN dopamine receptor D4 -10.51 -10.37 N/A 92.54% CHEMBL485227
EDN1_HUMAN endothelin 1 -9.42 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -10.47 -9.23 -8.90 56.00% CHEMBL244001
FABP5_HUMAN fatty acid binding protein 5 -5.89 -6.94 -6.95 30.87% CHEMBL3941588
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -8.98 N/A N/A 54.32% CHEMBL1968394
GLRA3_HUMAN glycine receptor alpha 3 -10.14 -8.71 -9.12 15.05% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -10.45 N/A N/A 15.05% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 -8.52 -7.40 -8.49 66.67% CHEMBL539185
HPGDS_HUMAN hematopoietic prostaglandin D synthase -9.27 -10.05 -10.09 50.00% CHEMBL2035650
HRH1_HUMAN histamine receptor H1 -9.16 N/A N/A 55.17% CHEMBL1882801
HYES_HUMAN epoxide hydrolase 2 -10.97 -9.47 -9.54 75.34% CHEMBL1507203
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -9.45 N/A N/A 41.18% CHEMBL1761511
MDR1_HUMAN ATP binding cassette subfamily B member 1 -9.89 -10.90 N/A 58.90% CHEMBL2398097
MIF_HUMAN macrophage migration inhibitory factor -9.42 -10.08 -9.78 40.18% CHEMBL1604170
MK01_HUMAN mitogen-activated protein kinase 1 -9.50 -8.24 -9.87 56.96% CHEMBL1977135
MK03_HUMAN mitogen-activated protein kinase 3 -9.72 -10.09 -8.99 48.70% CHEMBL3798926
MTOR_HUMAN mechanistic target of rapamycin kinase -11.39 -11.12 -11.15 43.28% CHEMBL1795875
NEP_HUMAN membrane metalloendopeptidase -8.72 -8.94 -9.92 55.29% CHEMBL378050
NK1R_HUMAN tachykinin receptor 1 -9.34 -9.95 -10.13 58.88% CHEMBL305375
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -11.00 -10.06 -10.78 30.77% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -10.99 -11.08 -11.43 45.24% CHEMBL3357785
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -10.92 -10.06 -10.78 32.14% CHEMBL354003
NOS1_HUMAN nitric oxide synthase 1 -10.49 -10.60 -9.92 42.86% CHEMBL258348
NOS2_HUMAN nitric oxide synthase 2 -8.80 -9.68 0.31 42.86% CHEMBL258348
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -10.27 -10.43 -10.87 53.49% CHEMBL1976290
OPRD_HUMAN opioid receptor delta 1 -9.18 -7.28 -9.07 65.43% CHEMBL27579
OPRK_HUMAN opioid receptor kappa 1 -10.78 -10.44 -9.58 63.86% CHEMBL340724
OPRM_MOUSE Mu-type opioid receptor -9.63 -9.42 N/A 61.63% CHEMBL2051964
OPRX_HUMAN opioid related nociceptin receptor 1 -8.88 -9.09 -9.55 60.76% CHEMBL3969636
P2RX3_HUMAN purinergic receptor P2X 3 -6.55 -6.86 -7.34 41.10% CHEMBL3669697
P2Y12_HUMAN purinergic receptor P2Y12 -9.59 -9.27 -10.04 48.28% CHEMBL599606
PAR1_HUMAN coagulation factor II thrombin receptor -11.73 N/A N/A 46.30% CHEMBL3658415
PDE4B_HUMAN phosphodiesterase 4B -10.02 -9.10 -9.83 41.03% CHEMBL288928
PDE5A_HUMAN phosphodiesterase 5A -9.91 -9.74 -10.36 43.80% CHEMBL190423
PERM_HUMAN myeloperoxidase -8.52 -8.77 -9.30 42.17% CHEMBL3892909
PGH1_SHEEP Prostaglandin G/H synthase 1 -8.75 -9.10 -8.30 50.00% CHEMBL268643
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -2.20 -7.55 -8.19 47.27% CHEMBL148931
PPAP_HUMAN acid phosphatase 3 -8.53 N/A N/A 27.84% CHEMBL498632
PPARG_HUMAN peroxisome proliferator activated receptor gamma -9.22 -9.80 -9.26 52.50% CHEMBL3695819
PRGR_HUMAN progesterone receptor 0.36 -5.92 -4.99 45.22% CHEMBL144345
PTGES_HUMAN prostaglandin E synthase -7.70 N/A N/A 51.30% CHEMBL3092283
SC6A4_HUMAN solute carrier family 6 member 4 -10.60 -10.35 -10.33 71.60% CHEMBL3612829
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -9.71 N/A N/A 56.98% CHEMBL2152694
TLR4_HUMAN toll like receptor 4 -10.44 -10.76 -10.20 28.16% CHEMBL4068003
TNFA_HUMAN tumor necrosis factor -8.27 N/A N/A 41.18% CHEMBL11440
TRBM_HUMAN thrombomodulin -8.89 -7.22 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.96 -7.72 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -10.33 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -10.82 N/A N/A 51.69% CHEMBL86708
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -9.27 -9.08 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -8.04 -7.45 N/A 40.62% CHEMBL3639953
TRXR1_HUMAN thioredoxin reductase 1 -9.55 -9.82 -7.33 N/A N/A
TRY1_HUMAN serine protease 1 -7.18 N/A N/A 54.78% CHEMBL45106