PCIDB

KNApSAcK Metabolite C00001677

Metabolite

KNApSAcK Entry

id C00001677
Name Agroclavine
CAS RN 548-42-5
Standard InChI InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15-/m1/s1
Standard InChI (Main Layer) InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 987

Link

ChEMBL

By standard InChI CHEMBL449081
By standard InChI Main Layer CHEMBL449081 CHEMBL481772 CHEMBL1999620

KEGG

By LinkDB C09023

CTD

By CAS RN C004465

Human Protein / Gene in interaction

19 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL449081 CHEMBL1614110 (1)
1 / 0
Q99700 Ataxin-2 Unclassified protein CHEMBL449081 CHEMBL2114784 (1)
1 / 1
Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Enzyme CHEMBL449081 CHEMBL1794585 (1)
0 / 0
Q9NR56 Muscleblind-like protein 1 Unclassified protein CHEMBL449081 CHEMBL1614166 (1)
1 / 0
P11473 Vitamin D3 receptor NR1I1 CHEMBL449081 CHEMBL1794311 (1)
2 / 3
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL449081 CHEMBL1614458 (1)
0 / 0
P39748 Flap endonuclease 1 Enzyme CHEMBL449081 CHEMBL1794486 (1)
0 / 0
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL449081 CHEMBL1614410 (1) CHEMBL1614531 (1)
1 / 3
Q99816 Tumor susceptibility gene 101 protein Unclassified protein CHEMBL449081 CHEMBL1738574 (1) CHEMBL2114930 (1)
0 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL449081 CHEMBL1614211 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL449081 CHEMBL1614421 (1) CHEMBL1614502 (1)
4 / 3
P06239 Tyrosine-protein kinase Lck Src CHEMBL449081 CHEMBL823217 (1)
0 / 1
P43405 Tyrosine-protein kinase SYK Syk CHEMBL449081 CHEMBL843194 (1)
0 / 0
P51451 Tyrosine-protein kinase Blk Src CHEMBL449081 CHEMBL843195 (1)
1 / 1
Q14145 Kelch-like ECH-associated protein 1 Unclassified protein CHEMBL449081 CHEMBL2114882 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL449081 CHEMBL1738442 (2)
0 / 0
Q8IUX4 DNA dC->dU-editing enzyme APOBEC-3F Enzyme CHEMBL449081 CHEMBL1963966 (1)
0 / 0
O00255 Menin Unclassified protein CHEMBL449081 CHEMBL1614531 (1)
2 / 5
O94925 Glutaminase kidney isoform, mitochondrial Enzyme CHEMBL449081 CHEMBL2114738 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (13)

OMIM preferred title UniProt
#608902 Drug metabolism, poor, cyp2d6-related P10635
#600274 Frontotemporal dementia; ftd P10636
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#613375 Maturity-onset diabetes of the young, type 11; mody11 P51451
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#160900 Myotonic dystrophy 1; dm1 Q9NR56
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (16)

KEGG disease name UniProt
H00033 Adrenal carcinoma O00255 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
H00093 Combined immunodeficiencies (CIDs) P06239 (related)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H00410 Maturity onset diabetes of the young (MODY) P51451 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q03164 (related)
Q03164 (marker)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)