PCIDB

KNApSAcK Metabolite C00001816

Metabolite

KNApSAcK Entry

id C00001816
Name (+)-Bebeerine
CAS RN 477-60-1
Standard InChI InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m1/s1
Standard InChI (Main Layer) InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 10

Link

ChEMBL

By standard InChI CHEMBL1169627
By standard InChI Main Layer CHEMBL1169627

KEGG

By LinkDB C09352

CTD

By CAS RN C066405

Human Protein / Gene in interaction

13 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q9UIF8 Bromodomain adjacent to zinc finger domain protein 2B Unclassified protein CHEMBL1169627 CHEMBL1738312 (1)
0 / 0
Q99700 Ataxin-2 Unclassified protein CHEMBL1169627 CHEMBL2114784 (1)
1 / 1
P47898 5-hydroxytryptamine receptor 5A Serotonin receptor CHEMBL1169627 CHEMBL1794491 (1)
0 / 0
P42858 Huntingtin Unclassified protein CHEMBL1169627 CHEMBL1613918 (1)
1 / 1
O75496 Geminin Unclassified protein CHEMBL1169627 CHEMBL2114843 (1) CHEMBL2114780 (2)
0 / 0
P41143 Delta-type opioid receptor Opioid receptor CHEMBL1169627 CHEMBL1794452 (1) CHEMBL1794484 (1)
0 / 0
P35372 Mu-type opioid receptor Opioid receptor CHEMBL1169627 CHEMBL1794457 (1) CHEMBL1794484 (1)
0 / 0
O75164 Lysine-specific demethylase 4A Enzyme CHEMBL1169627 CHEMBL1737991 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL1169627 CHEMBL1614421 (1)
4 / 3
O43603 Galanin receptor type 2 Galanin receptor CHEMBL1169627 CHEMBL1614350 (1) CHEMBL1614422 (1)
0 / 0
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL1169627 CHEMBL1794536 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL1169627 CHEMBL1738442 (1)
0 / 0
P43351 DNA repair protein RAD52 homolog Unclassified protein CHEMBL1169627 CHEMBL2354285 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (6)

OMIM preferred title UniProt
#600274 Frontotemporal dementia; ftd P10636
#143100 Huntington disease; hd P42858
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636

KEGG DISEASE (5)

KEGG disease name UniProt
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00059 Huntington's disease (HD) P42858 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)