Fran's drimane_1 #321 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 -7.82 -7.57 -8.06 13.95% CHEMBL191460
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -7.93 -7.70 N/A 27.66% CHEMBL1123
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.71 -7.70 -7.70 27.66% CHEMBL1123
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -7.10 -8.05 N/A 27.66% CHEMBL1123
AA1R_HUMAN adenosine A1 receptor -7.01 -7.23 -7.92 13.64% CHEMBL3314905
AA2AR_HUMAN adenosine A2a receptor -7.62 -7.78 -8.70 13.64% CHEMBL3314905
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -8.66 -8.02 -8.48 26.47% CHEMBL3586199
ACE_HUMAN angiotensin I converting enzyme -7.56 -7.65 -7.05 41.94% CHEMBL311988
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.43 N/A N/A 6.21% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.30 -3.84 -6.25 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -9.40 0.46 N/A 30.00% CHEMBL477542
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.12 -7.78 N/A 30.00% CHEMBL477542
ADRB2_HUMAN adrenoceptor beta 2 -7.74 -7.15 -7.85 15.71% CHEMBL1332942
AGTR2_HUMAN angiotensin II receptor type 2 -7.38 -7.56 -7.81 9.09% CHEMBL376286
ALDR_HUMAN aldo-keto reductase family 1 member B -7.69 -8.02 -7.20 25.00% CHEMBL173813
AMPN_HUMAN alanyl aminopeptidase, membrane -6.78 -6.91 -6.63 37.14% CHEMBL27519
AOFA_HUMAN monoamine oxidase A -8.18 -8.58 -7.82 16.67% CHEMBL1070
AOFB_HUMAN monoamine oxidase B -8.56 -7.62 -7.62 15.56% CHEMBL3330330
BACE1_HUMAN beta-secretase 1 -6.54 -7.04 -7.16 31.71% CHEMBL3586197
CAH2_HUMAN carbonic anhydrase 2 -6.46 -6.44 -6.12 92.86% CHEMBL1946183
CASP1_HUMAN caspase 1 -5.69 -5.68 -5.80 21.67% CHEMBL252716
CDK5_HUMAN cyclin dependent kinase 5 -7.50 -7.75 -7.16 23.21% CHEMBL1994526
CHLE_HUMAN butyrylcholinesterase -8.57 -8.17 -8.23 35.00% CHEMBL1512936
CNR1_HUMAN cannabinoid receptor 1 -6.68 -7.94 -8.31 26.09% CHEMBL483143
CNR2_HUMAN cannabinoid receptor 2 -8.51 -8.15 N/A 28.26% CHEMBL1422818
COLI_HUMAN proopiomelanocortin -8.05 -7.50 -5.74 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.74 -5.34 -5.54 6.31% CHEMBL3819488
CRP_HUMAN C-reactive protein -5.60 -5.57 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.78 N/A N/A 9.09% CHEMBL191413
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.22 -6.08 -7.41 11.88% CHEMBL1949739
DRD2_HUMAN dopamine receptor D2 -6.94 N/A N/A 21.31% CHEMBL309623
DRD3_HUMAN dopamine receptor D3 -7.68 N/A N/A 27.66% CHEMBL1123
DRD4_HUMAN dopamine receptor D4 -7.96 -7.97 N/A 18.57% CHEMBL21168
EDN1_HUMAN endothelin 1 -6.38 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -7.72 -7.49 -7.44 28.26% CHEMBL2103774
FABP5_HUMAN fatty acid binding protein 5 -7.17 -5.16 -4.87 57.14% CHEMBL82293
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -7.96 N/A N/A 16.90% CHEMBL407135
GLRA3_HUMAN glycine receptor alpha 3 -8.42 -8.84 -8.40 4.08% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -9.40 N/A N/A 4.08% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -6.03 -4.49 -5.32 33.33% CHEMBL1783985
HPGDS_HUMAN hematopoietic prostaglandin D synthase -6.76 -5.88 -6.12 16.42% CHEMBL1743209
HRH1_HUMAN histamine receptor H1 -6.56 N/A N/A 16.67% CHEMBL59798
HYES_HUMAN epoxide hydrolase 2 -7.28 -6.79 -6.85 38.24% CHEMBL192273
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -6.93 N/A N/A 20.63% CHEMBL1762621
MDR1_HUMAN ATP binding cassette subfamily B member 1 -6.88 -7.22 N/A 86.67% CHEMBL486954
MIF_HUMAN macrophage migration inhibitory factor -5.22 -6.04 -5.59 12.62% CHEMBL209588
MK01_HUMAN mitogen-activated protein kinase 1 -6.11 -6.87 -6.07 17.39% CHEMBL547
MK03_HUMAN mitogen-activated protein kinase 3 -7.26 -8.00 -6.73 12.37% CHEMBL3113587
MTOR_HUMAN mechanistic target of rapamycin kinase -8.25 -7.96 -7.96 34.21% CHEMBL169
NEP_HUMAN membrane metalloendopeptidase -6.63 -6.62 -6.38 28.26% CHEMBL211529
NK1R_HUMAN tachykinin receptor 1 -8.12 -7.15 -7.98 16.28% CHEMBL283872
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -7.28 -6.56 -6.43 3.61% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -6.73 -7.33 -6.50 13.33% CHEMBL3357791
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -7.30 -6.65 -6.43 6.83% CHEMBL354003
NOS1_HUMAN nitric oxide synthase 1 -7.45 -6.53 -6.99 19.57% CHEMBL11471
NOS2_HUMAN nitric oxide synthase 2 -5.87 -6.75 -7.26 28.26% CHEMBL1765578
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -7.42 -7.26 -7.27 13.00% CHEMBL1978371
OPRD_HUMAN opioid receptor delta 1 -6.48 -6.28 -6.62 20.90% CHEMBL4077003
OPRK_HUMAN opioid receptor kappa 1 -8.31 -8.55 -6.70 41.94% CHEMBL3890935
OPRM_MOUSE Mu-type opioid receptor -7.19 -7.13 N/A 17.57% CHEMBL2057689
OPRX_HUMAN opioid related nociceptin receptor 1 -6.94 -6.23 -6.97 21.21% CHEMBL3326220
P2RX3_HUMAN purinergic receptor P2X 3 -5.18 -4.84 -4.99 11.57% CHEMBL3674941
P2Y12_HUMAN purinergic receptor P2Y12 -6.47 -4.27 -7.26 13.73% CHEMBL299895
PAR1_HUMAN coagulation factor II thrombin receptor -7.98 N/A N/A 20.37% CHEMBL80672
PDE4B_HUMAN phosphodiesterase 4B -6.77 -6.78 -6.91 16.47% CHEMBL511115
PDE5A_HUMAN phosphodiesterase 5A -7.13 -7.97 -7.00 10.71% CHEMBL190423
PERM_HUMAN myeloperoxidase -6.54 -6.73 -6.80 14.12% CHEMBL2347026
PGH1_SHEEP Prostaglandin G/H synthase 1 -5.88 -7.46 -6.94 29.55% CHEMBL503071
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -3.47 -5.97 -5.86 25.00% CHEMBL504631
PPAP_HUMAN acid phosphatase 3 -7.42 N/A N/A 3.90% CHEMBL501717
PPARG_HUMAN peroxisome proliferator activated receptor gamma -6.73 -7.04 -6.27 32.50% CHEMBL230006
PRGR_HUMAN progesterone receptor -7.81 -7.78 -7.93 42.42% CHEMBL292284
PTGES_HUMAN prostaglandin E synthase -5.78 N/A N/A 35.14% CHEMBL566929
SC6A4_HUMAN solute carrier family 6 member 4 -8.19 -8.11 -7.75 28.26% CHEMBL2107797
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -6.03 N/A N/A 14.94% CHEMBL206758
TLR4_HUMAN toll like receptor 4 -7.50 -7.19 -7.28 16.46% CHEMBL1223752
TNFA_HUMAN tumor necrosis factor -7.27 N/A N/A 9.09% CHEMBL3938524
TRBM_HUMAN thrombomodulin -6.31 -6.37 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -6.17 -5.82 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -7.77 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -7.11 N/A N/A 18.18% CHEMBL15848
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.13 -8.13 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.43 -7.21 N/A 10.45% CHEMBL73188
TRXR1_HUMAN thioredoxin reductase 1 -7.29 -6.84 -5.86 N/A N/A
TRY1_HUMAN serine protease 1 -5.19 N/A N/A 25.53% CHEMBL102115