PCIDB

KNApSAcK Metabolite C00011252

Metabolite

KNApSAcK Entry

id C00011252
Name Aurantiamine
CAS RN 143085-86-3
Standard InChI InChI=1S/C16H22N4O2/c1-6-16(4,5)13-10(17-8-18-13)7-11-14(21)20-12(9(2)3)15(22)19-11/h6-9,12H,1H2,2-5H3,(H,17,18)(H,19,22)(H,20,21)/b11-7-/t12-/m0/s1
Standard InChI (Main Layer) InChI=1S/C16H22N4O2/c1-6-16(4,5)13-10(17-8-18-13)7-11-14(21)20-12(9(2)3)15(22)19-11/h6-9,12H,1H2,2-5H3,(H,17,18)(H,19,22)(H,20,21)

Cluster

Phytochemical cluster
KCF-S cluster No. 3555

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL570312 CHEMBL1579523

KEGG

By LinkDB

CTD

By CAS RN

Human Protein / Gene in interaction

8 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q99700 Ataxin-2 Unclassified protein CHEMBL1579523 CHEMBL2114784 (1)
1 / 1
Q13315 Serine-protein kinase ATM Atypical serine/threonine protein kinase PIKK subfamily CHEMBL1579523 CHEMBL1614153 (1)
1 / 4
O75496 Geminin Unclassified protein CHEMBL1579523 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL1579523 CHEMBL2114788 (1)
0 / 0
Q9HC16 DNA dC->dU-editing enzyme APOBEC-3G Enzyme CHEMBL1579523 CHEMBL1963863 (1)
0 / 0
Q9UNA4 DNA polymerase iota Enzyme CHEMBL1579523 CHEMBL1794483 (1)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1579523 CHEMBL1613914 (1)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL1579523 CHEMBL2354311 (1)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (3)

OMIM preferred title UniProt
#208900 Ataxia-telangiectasia; at Q13315
#137800 Glioma susceptibility 1; glm1 O75874
#183090 Spinocerebellar ataxia 2; sca2 Q99700

KEGG DISEASE (5)

KEGG disease name UniProt
H00005 Chronic lymphocytic leukemia (CLL) Q13315 (related)
H00064 Ataxia telangiectasia (AT) Q13315 (related)
H00094 DNA repair defects Q13315 (related)
H00848 Ataxia with ocular apraxia (AOA) Q13315 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)