(-)-TAN-2483B_1 #261 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 -7.39 -7.43 -7.19 16.77% CHEMBL321190
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -6.95 -7.00 N/A 35.58% CHEMBL1909065
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.31 -7.29 -6.98 35.58% CHEMBL1909065
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -7.32 -6.97 N/A 35.58% CHEMBL1909065
AA1R_HUMAN adenosine A1 receptor -6.71 -6.50 -6.58 20.75% CHEMBL608220
AA2AR_HUMAN adenosine A2a receptor -6.83 -6.64 -7.01 25.20% CHEMBL2042091
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -7.41 -7.30 -7.76 33.61% CHEMBL3586200
ACE_HUMAN angiotensin I converting enzyme -6.55 -6.76 -6.73 27.17% CHEMBL128223
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -5.85 N/A N/A 13.40% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.35 -7.43 -6.77 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.42 -5.42 N/A 37.61% CHEMBL182761
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.50 -6.61 N/A 31.72% CHEMBL340561
ADRB2_HUMAN adrenoceptor beta 2 -7.50 -7.27 -8.12 22.12% CHEMBL1714856
AGTR2_HUMAN angiotensin II receptor type 2 -6.09 -6.34 -6.54 17.20% CHEMBL1668009
ALDR_HUMAN aldo-keto reductase family 1 member B -7.28 -7.01 -6.44 40.16% CHEMBL249448
AMPN_HUMAN alanyl aminopeptidase, membrane -6.46 -7.71 -6.29 20.11% CHEMBL1782887
AOFA_HUMAN monoamine oxidase A -7.01 -7.54 -7.57 33.08% CHEMBL332223
AOFB_HUMAN monoamine oxidase B -7.51 -7.78 -7.67 36.20% CHEMBL4062286
BACE1_HUMAN beta-secretase 1 -5.48 -5.94 -6.50 33.62% CHEMBL261063
CAH2_HUMAN carbonic anhydrase 2 -6.63 -6.62 -6.51 41.73% CHEMBL3329923
CASP1_HUMAN caspase 1 -5.25 -5.77 -5.45 46.27% CHEMBL252921
CDK5_HUMAN cyclin dependent kinase 5 -6.39 -6.96 -7.39 16.67% CHEMBL1988608
CHLE_HUMAN butyrylcholinesterase -7.08 -6.87 -6.98 38.41% CHEMBL492233
CNR1_HUMAN cannabinoid receptor 1 -6.68 -7.00 -7.45 44.00% CHEMBL1800732
CNR2_HUMAN cannabinoid receptor 2 -7.17 -7.16 N/A 44.00% CHEMBL1800732
COLI_HUMAN proopiomelanocortin -7.05 -6.47 -6.52 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.06 -5.62 -4.90 14.41% CHEMBL1091981
CRP_HUMAN C-reactive protein -4.91 -5.05 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.99 N/A N/A 17.54% CHEMBL556862
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -6.75 -5.61 -6.17 29.52% CHEMBL1221944
DRD2_HUMAN dopamine receptor D2 -7.08 N/A N/A 35.58% CHEMBL1909065
DRD3_HUMAN dopamine receptor D3 -6.92 N/A N/A 48.15% CHEMBL1200633
DRD4_HUMAN dopamine receptor D4 -6.84 -7.15 N/A 21.09% CHEMBL282927
EDN1_HUMAN endothelin 1 -6.11 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -6.90 -6.48 -6.38 30.95% CHEMBL4072205
FABP5_HUMAN fatty acid binding protein 5 -6.69 -5.27 -4.92 27.59% CHEMBL8659
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -6.65 N/A N/A 28.05% CHEMBL1097700
GLRA3_HUMAN glycine receptor alpha 3 -7.02 -7.26 -7.28 12.03% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -6.94 N/A N/A 12.03% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -7.91 -6.31 -7.12 19.75% CHEMBL3086720
HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.16 -5.97 -6.93 30.91% CHEMBL1743209
HRH1_HUMAN histamine receptor H1 -6.56 N/A N/A 23.21% CHEMBL3983211
HYES_HUMAN epoxide hydrolase 2 -7.00 -7.10 -6.71 38.52% CHEMBL249447
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -7.10 N/A N/A 50.00% CHEMBL1253688
MDR1_HUMAN ATP binding cassette subfamily B member 1 -6.42 -6.58 N/A 54.26% CHEMBL2074838
MIF_HUMAN macrophage migration inhibitory factor -5.57 -6.09 -6.74 41.61% CHEMBL2375653
MK01_HUMAN mitogen-activated protein kinase 1 -6.61 -5.92 -5.90 33.99% CHEMBL555017
MK03_HUMAN mitogen-activated protein kinase 3 -6.37 -6.82 -6.28 33.99% CHEMBL555017
MTOR_HUMAN mechanistic target of rapamycin kinase -6.78 -6.92 -6.98 51.13% CHEMBL1911631
NEP_HUMAN membrane metalloendopeptidase -7.17 -6.42 -7.10 30.63% CHEMBL434492
NK1R_HUMAN tachykinin receptor 1 -6.75 -6.66 -6.50 26.17% CHEMBL435564
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -7.02 -6.80 -6.97 7.10% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -7.39 -7.54 -7.64 14.77% CHEMBL219114
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -6.98 -7.00 -6.97 12.80% CHEMBL248438
NOS1_HUMAN nitric oxide synthase 1 -6.35 -6.44 -7.15 18.18% CHEMBL106820
NOS2_HUMAN nitric oxide synthase 2 -6.52 -6.89 -7.09 28.87% CHEMBL1765578
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -7.05 -6.93 -6.98 31.90% CHEMBL444109
OPRD_HUMAN opioid receptor delta 1 -6.03 -5.91 -6.54 37.96% CHEMBL1161423
OPRK_HUMAN opioid receptor kappa 1 -6.76 -7.30 -6.80 47.50% CHEMBL1773748
OPRM_MOUSE Mu-type opioid receptor -6.54 -6.36 N/A 25.28% CHEMBL405663
OPRX_HUMAN opioid related nociceptin receptor 1 -6.14 -6.89 -6.51 24.04% CHEMBL3262362
P2RX3_HUMAN purinergic receptor P2X 3 -4.98 -5.00 -5.02 20.48% CHEMBL3679736
P2Y12_HUMAN purinergic receptor P2Y12 -6.46 -6.86 -7.14 22.46% CHEMBL256251
PAR1_HUMAN coagulation factor II thrombin receptor -6.73 N/A N/A 32.19% CHEMBL234804
PDE4B_HUMAN phosphodiesterase 4B -7.15 -6.77 -7.51 39.63% CHEMBL2063002
PDE5A_HUMAN phosphodiesterase 5A -6.97 -7.30 -7.23 16.57% CHEMBL190364
PERM_HUMAN myeloperoxidase -6.57 -6.84 -6.66 12.90% CHEMBL490
PGH1_SHEEP Prostaglandin G/H synthase 1 -7.21 -7.46 -6.82 48.36% CHEMBL500387
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -6.51 -6.37 -6.97 69.72% CHEMBL463571
PPAP_HUMAN acid phosphatase 3 -6.86 N/A N/A 9.59% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -6.11 -7.45 -6.29 46.88% CHEMBL2178586
PRGR_HUMAN progesterone receptor -7.02 -7.05 -6.81 46.39% CHEMBL3695600
PTGES_HUMAN prostaglandin E synthase -6.37 N/A N/A 34.74% CHEMBL3289107
SC6A4_HUMAN solute carrier family 6 member 4 -7.37 -7.70 -7.10 53.66% CHEMBL185169
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -6.69 N/A N/A 23.91% CHEMBL4077213
TLR4_HUMAN toll like receptor 4 -5.97 -6.06 -6.08 36.43% CHEMBL4071705
TNFA_HUMAN tumor necrosis factor -6.46 N/A N/A 25.73% CHEMBL3983488
TRBM_HUMAN thrombomodulin -6.45 -6.23 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -6.31 -6.69 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -6.88 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -6.60 N/A N/A 44.06% CHEMBL319078
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -6.62 -7.02 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -5.61 -6.71 N/A 16.11% CHEMBL3664218
TRXR1_HUMAN thioredoxin reductase 1 -6.93 -6.43 -5.46 N/A N/A
TRY1_HUMAN serine protease 1 -5.24 N/A N/A 38.24% CHEMBL457155