Jin's drug 02 #273 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 -10.46 -11.84 -10.68 45.14% CHEMBL119800
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -11.53 -11.44 N/A 53.79% CHEMBL3600976
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -10.53 -11.21 -10.71 43.53% CHEMBL212064
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -11.19 -12.00 N/A 44.12% CHEMBL18786
AA1R_HUMAN adenosine A1 receptor -10.28 -9.74 -9.35 34.51% CHEMBL3965184
AA2AR_HUMAN adenosine A2a receptor -9.91 -9.57 -9.75 34.51% CHEMBL3965184
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.37 -11.12 -9.94 41.61% CHEMBL4080105
ACE_HUMAN angiotensin I converting enzyme -10.05 -10.15 -6.69 28.93% CHEMBL98
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -8.47 N/A N/A 15.70% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -4.88 -5.65 -5.78 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -4.20 4.53 N/A 53.79% CHEMBL3600976
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.80 -8.96 N/A 31.87% CHEMBL543177
ADRB2_HUMAN adrenoceptor beta 2 -10.61 -10.99 -11.83 46.46% CHEMBL270964
AGTR2_HUMAN angiotensin II receptor type 2 -10.05 -9.80 -10.03 30.77% CHEMBL2435834
ALDR_HUMAN aldo-keto reductase family 1 member B -10.59 -11.30 -11.50 31.76% CHEMBL2260153
AMPN_HUMAN alanyl aminopeptidase, membrane -10.33 -9.87 -9.68 28.97% CHEMBL3764919
AOFA_HUMAN monoamine oxidase A -11.59 -11.64 -11.41 45.11% CHEMBL466872
AOFB_HUMAN monoamine oxidase B -12.39 -12.29 -12.42 62.96% CHEMBL3613273
BACE1_HUMAN beta-secretase 1 -8.24 -9.41 -9.44 36.36% CHEMBL370043
CAH2_HUMAN carbonic anhydrase 2 -8.87 -8.65 -8.86 57.72% CHEMBL4081738
CASP1_HUMAN caspase 1 -7.74 -8.44 -8.08 34.86% CHEMBL237310
CDK5_HUMAN cyclin dependent kinase 5 -9.63 -9.31 -10.46 44.14% CHEMBL1996176
CHLE_HUMAN butyrylcholinesterase -9.26 -9.29 -9.60 37.40% CHEMBL2381400
CNR1_HUMAN cannabinoid receptor 1 -10.07 -9.66 -10.03 36.91% CHEMBL579194
CNR2_HUMAN cannabinoid receptor 2 -10.38 -10.44 N/A 48.80% CHEMBL2338171
COLI_HUMAN proopiomelanocortin -10.50 -10.11 -9.62 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -6.97 -7.60 -7.40 31.41% CHEMBL953
CRP_HUMAN C-reactive protein -6.54 -6.82 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -3.65 N/A N/A 30.06% CHEMBL464302
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -9.63 -8.19 -8.75 24.40% CHEMBL3779982
DRD2_HUMAN dopamine receptor D2 -10.09 N/A N/A 45.83% CHEMBL415520
DRD3_HUMAN dopamine receptor D3 -10.74 N/A N/A 45.83% CHEMBL415520
DRD4_HUMAN dopamine receptor D4 -10.55 -10.48 N/A 38.36% CHEMBL338606
EDN1_HUMAN endothelin 1 -9.00 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -10.33 -9.74 -9.85 42.28% CHEMBL3621988
FABP5_HUMAN fatty acid binding protein 5 -7.27 -7.39 -7.84 36.00% CHEMBL3950316
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -10.16 N/A N/A 45.16% CHEMBL2002702
GLRA3_HUMAN glycine receptor alpha 3 -9.23 -9.62 -9.58 16.10% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -9.90 N/A N/A 16.10% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 -7.97 -6.37 -6.55 34.87% CHEMBL239594
HPGDS_HUMAN hematopoietic prostaglandin D synthase -9.32 -9.66 -10.27 34.52% CHEMBL3698258
HRH1_HUMAN histamine receptor H1 -10.73 N/A N/A 35.57% CHEMBL2158822
HYES_HUMAN epoxide hydrolase 2 -9.67 -9.71 -10.17 42.65% CHEMBL4060303
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -9.76 N/A N/A 35.22% CHEMBL1082834
MDR1_HUMAN ATP binding cassette subfamily B member 1 -10.16 -10.70 N/A 43.45% CHEMBL3613020
MIF_HUMAN macrophage migration inhibitory factor -5.85 -8.20 -8.18 34.72% CHEMBL1604170
MK01_HUMAN mitogen-activated protein kinase 1 -11.02 -8.64 -9.16 38.51% CHEMBL2002649
MK03_HUMAN mitogen-activated protein kinase 3 -9.81 -10.33 -9.55 35.61% CHEMBL3577637
MTOR_HUMAN mechanistic target of rapamycin kinase -10.68 -10.93 -11.00 38.10% CHEMBL3735791
NEP_HUMAN membrane metalloendopeptidase -9.35 -9.31 -10.33 35.88% CHEMBL81232
NK1R_HUMAN tachykinin receptor 1 -9.44 -9.96 -10.11 46.04% CHEMBL303119
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -12.07 -10.40 -10.20 16.09% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -10.88 -10.17 -12.05 30.25% CHEMBL158874
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -12.02 -10.44 -10.20 26.92% CHEMBL162293
NOS1_HUMAN nitric oxide synthase 1 -9.35 -9.62 -9.76 30.63% CHEMBL542431
NOS2_HUMAN nitric oxide synthase 2 -5.44 -9.74 28.84 27.68% CHEMBL491570
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -10.61 -11.03 -11.28 47.47% CHEMBL1980329
OPRD_HUMAN opioid receptor delta 1 -9.32 -5.40 -8.28 37.41% CHEMBL1939743
OPRK_HUMAN opioid receptor kappa 1 -10.08 -9.48 -9.92 39.44% CHEMBL4097541
OPRM_MOUSE Mu-type opioid receptor -9.13 -9.19 N/A 38.35% CHEMBL283552
OPRX_HUMAN opioid related nociceptin receptor 1 -8.78 -8.84 -9.12 32.90% CHEMBL198600
P2RX3_HUMAN purinergic receptor P2X 3 -7.27 -6.99 -6.83 31.32% CHEMBL3669699
P2Y12_HUMAN purinergic receptor P2Y12 -11.53 -6.68 -9.43 32.99% CHEMBL557553
PAR1_HUMAN coagulation factor II thrombin receptor -10.21 N/A N/A 36.41% CHEMBL3109574
PDE4B_HUMAN phosphodiesterase 4B -9.93 -9.50 -9.66 35.93% CHEMBL371089
PDE5A_HUMAN phosphodiesterase 5A -9.46 -10.17 -9.96 35.67% CHEMBL42869
PERM_HUMAN myeloperoxidase -8.77 -9.04 -9.25 42.73% CHEMBL686
PGH1_SHEEP Prostaglandin G/H synthase 1 -10.08 -8.19 -10.01 38.28% CHEMBL9254
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 3.23 -10.77 -9.89 47.75% CHEMBL23588
PPAP_HUMAN acid phosphatase 3 -9.36 N/A N/A 13.38% CHEMBL498632
PPARG_HUMAN peroxisome proliferator activated receptor gamma -9.37 -10.26 -9.06 44.37% CHEMBL118852
PRGR_HUMAN progesterone receptor 0.93 -0.32 -5.86 51.22% CHEMBL93463
PTGES_HUMAN prostaglandin E synthase -9.24 N/A N/A 41.18% CHEMBL1086884
SC6A4_HUMAN solute carrier family 6 member 4 -10.46 -10.51 -10.21 36.99% CHEMBL575699
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -8.62 N/A N/A 42.86% CHEMBL3576950
TLR4_HUMAN toll like receptor 4 -10.29 -10.27 -10.30 29.71% CHEMBL1223752
TNFA_HUMAN tumor necrosis factor -8.37 N/A N/A 33.33% CHEMBL1569174
TRBM_HUMAN thrombomodulin -8.76 -8.09 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -8.88 -7.69 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -11.05 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -9.83 N/A N/A 43.97% CHEMBL195789
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -8.73 -9.38 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -8.87 -7.71 N/A 26.84% CHEMBL3910757
TRXR1_HUMAN thioredoxin reductase 1 -8.77 -9.72 -7.11 N/A N/A
TRY1_HUMAN serine protease 1 -7.18 N/A N/A 45.45% CHEMBL99630