Spiro[4.5]decan-8-yl analogue 14 #247 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 -11.11 -11.21 -11.52 60.87% CHEMBL191460
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -11.44 -12.04 N/A 70.42% CHEMBL234826
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -10.95 -11.04 -11.11 67.05% CHEMBL475245
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -10.31 -12.07 N/A 60.87% CHEMBL191460
AA1R_HUMAN adenosine A1 receptor -10.82 -10.76 -8.68 40.30% CHEMBL3765526
AA2AR_HUMAN adenosine A2a receptor -10.55 -10.48 -10.74 43.55% CHEMBL194704
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -10.78 -9.97 -8.44 74.24% CHEMBL56470
ACE_HUMAN angiotensin I converting enzyme -9.74 -9.33 -8.59 47.71% CHEMBL435360
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.91 N/A N/A 22.78% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -9.56 -8.32 -6.44 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -9.92 2.30 N/A 65.48% CHEMBL3600801
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.12 -8.56 N/A 55.81% CHEMBL130835
ADRB2_HUMAN adrenoceptor beta 2 -9.61 -11.84 -11.87 60.92% CHEMBL1524289
AGTR2_HUMAN angiotensin II receptor type 2 -10.27 -10.60 -10.03 43.64% CHEMBL376286
ALDR_HUMAN aldo-keto reductase family 1 member B -10.90 -10.42 -10.35 37.88% CHEMBL4071420
AMPN_HUMAN alanyl aminopeptidase, membrane -10.00 -10.23 -9.23 39.00% CHEMBL2204959
AOFA_HUMAN monoamine oxidase A -11.84 -11.65 -11.01 46.94% CHEMBL3781494
AOFB_HUMAN monoamine oxidase B -10.69 -9.70 -10.85 49.07% CHEMBL1814072
BACE1_HUMAN beta-secretase 1 -8.46 -9.32 -9.08 57.61% CHEMBL3354252
CAH2_HUMAN carbonic anhydrase 2 -9.03 -8.90 -9.10 54.79% CHEMBL3092749
CASP1_HUMAN caspase 1 -7.75 -7.73 -7.12 50.50% CHEMBL590028
CDK5_HUMAN cyclin dependent kinase 5 -9.23 -9.41 -10.77 51.65% CHEMBL1990254
CHLE_HUMAN butyrylcholinesterase -9.66 -9.42 -9.89 62.50% CHEMBL4077386
CNR1_HUMAN cannabinoid receptor 1 -9.69 -10.78 -11.54 61.70% CHEMBL3397448
CNR2_HUMAN cannabinoid receptor 2 -12.44 -11.22 N/A 66.67% CHEMBL579193
COLI_HUMAN proopiomelanocortin -9.75 -9.65 -9.83 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -8.06 -7.55 -7.67 33.33% CHEMBL3818719
CRP_HUMAN C-reactive protein -6.51 -6.17 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -1.91 N/A N/A 26.78% CHEMBL556862
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -10.00 -8.00 -8.85 59.15% CHEMBL2170299
DRD2_HUMAN dopamine receptor D2 -10.82 N/A N/A 70.51% CHEMBL185156
DRD3_HUMAN dopamine receptor D3 -10.61 N/A N/A 92.54% CHEMBL485227
DRD4_HUMAN dopamine receptor D4 -10.46 -10.23 N/A 92.54% CHEMBL485227
EDN1_HUMAN endothelin 1 -10.59 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -9.74 -9.39 -9.49 56.00% CHEMBL244001
FABP5_HUMAN fatty acid binding protein 5 -7.56 -6.82 -7.14 30.87% CHEMBL3941588
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -9.09 N/A N/A 54.32% CHEMBL1968394
GLRA3_HUMAN glycine receptor alpha 3 -11.51 -10.66 -10.88 15.05% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -10.61 N/A N/A 15.05% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 -9.02 -7.86 -8.11 66.67% CHEMBL539185
HPGDS_HUMAN hematopoietic prostaglandin D synthase -9.70 -9.64 -9.88 50.00% CHEMBL2035650
HRH1_HUMAN histamine receptor H1 -6.99 N/A N/A 55.17% CHEMBL1882801
HYES_HUMAN epoxide hydrolase 2 -9.92 -9.48 -9.37 75.34% CHEMBL1507203
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -9.72 N/A N/A 41.18% CHEMBL1761511
MDR1_HUMAN ATP binding cassette subfamily B member 1 -9.62 -10.55 N/A 58.90% CHEMBL2398097
MIF_HUMAN macrophage migration inhibitory factor -9.55 -10.02 -8.53 40.18% CHEMBL1604170
MK01_HUMAN mitogen-activated protein kinase 1 -8.81 -8.59 -10.09 56.96% CHEMBL1977135
MK03_HUMAN mitogen-activated protein kinase 3 -9.48 -9.05 -9.56 48.70% CHEMBL3798926
MTOR_HUMAN mechanistic target of rapamycin kinase -11.39 -11.85 -11.40 43.28% CHEMBL1795875
NEP_HUMAN membrane metalloendopeptidase -8.48 -8.14 -9.04 55.29% CHEMBL378050
NK1R_HUMAN tachykinin receptor 1 -9.39 -9.52 -9.78 58.88% CHEMBL305375
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -9.32 -8.69 -10.70 30.77% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -11.39 -10.29 -10.81 45.24% CHEMBL3357785
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -9.29 -9.91 -10.70 32.14% CHEMBL354003
NOS1_HUMAN nitric oxide synthase 1 -10.90 -11.02 -10.31 42.86% CHEMBL258348
NOS2_HUMAN nitric oxide synthase 2 -10.30 -9.84 -3.46 42.86% CHEMBL258348
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -10.70 -10.64 -10.77 53.49% CHEMBL1976290
OPRD_HUMAN opioid receptor delta 1 -8.63 -7.45 -9.05 65.43% CHEMBL27579
OPRK_HUMAN opioid receptor kappa 1 -10.98 -11.08 -9.67 63.86% CHEMBL340724
OPRM_MOUSE Mu-type opioid receptor -9.59 -9.68 N/A 61.63% CHEMBL2051964
OPRX_HUMAN opioid related nociceptin receptor 1 -8.96 -8.85 -9.25 60.76% CHEMBL3969636
P2RX3_HUMAN purinergic receptor P2X 3 -6.88 -6.96 -7.48 41.10% CHEMBL3669697
P2Y12_HUMAN purinergic receptor P2Y12 -9.23 -10.04 -10.51 48.28% CHEMBL599606
PAR1_HUMAN coagulation factor II thrombin receptor -11.53 N/A N/A 46.30% CHEMBL3658415
PDE4B_HUMAN phosphodiesterase 4B -9.97 -10.36 -10.34 41.03% CHEMBL288928
PDE5A_HUMAN phosphodiesterase 5A -10.16 -10.23 -10.14 43.80% CHEMBL190423
PERM_HUMAN myeloperoxidase -9.03 -9.05 -8.81 42.17% CHEMBL3892909
PGH1_SHEEP Prostaglandin G/H synthase 1 -7.81 -9.30 -9.00 50.00% CHEMBL268643
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -4.10 -7.46 -7.41 47.27% CHEMBL148931
PPAP_HUMAN acid phosphatase 3 -9.17 N/A N/A 27.84% CHEMBL498632
PPARG_HUMAN peroxisome proliferator activated receptor gamma -9.56 -10.44 -9.22 52.50% CHEMBL3695819
PRGR_HUMAN progesterone receptor -4.65 -2.33 -8.07 45.22% CHEMBL144345
PTGES_HUMAN prostaglandin E synthase -7.48 N/A N/A 51.30% CHEMBL3092283
SC6A4_HUMAN solute carrier family 6 member 4 -11.22 -10.94 -10.66 71.60% CHEMBL3612829
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -9.85 N/A N/A 56.98% CHEMBL2152694
TLR4_HUMAN toll like receptor 4 -10.77 -10.85 -10.52 28.16% CHEMBL4068003
TNFA_HUMAN tumor necrosis factor -8.24 N/A N/A 41.18% CHEMBL11440
TRBM_HUMAN thrombomodulin -9.45 -7.40 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.30 -7.68 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -10.55 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -10.42 N/A N/A 51.69% CHEMBL86708
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -9.21 -9.20 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -9.24 -7.51 N/A 40.62% CHEMBL3639953
TRXR1_HUMAN thioredoxin reductase 1 -9.75 -8.41 -7.70 N/A N/A
TRY1_HUMAN serine protease 1 -7.68 N/A N/A 54.78% CHEMBL45106