PCIDB

KNApSAcK Metabolite C00001399

Metabolite

KNApSAcK Entry

id C00001399
Name Willardiine
CAS RN 21416-43-3
Standard InChI InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1
Standard InChI (Main Layer) InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)

Cluster

Phytochemical cluster
KCF-S cluster No. 5581

Link

ChEMBL

By standard InChI CHEMBL122005
By standard InChI Main Layer CHEMBL122005 CHEMBL366489 CHEMBL1356611

KEGG

By LinkDB C03584

CTD

By CAS RN C002872

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Fabaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Acacia willardiana 247879 Fabaceae rosids Viridiplantae

Human Protein / Gene in interaction

14 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1356611 CHEMBL1614110 (1) CHEMBL1741321 (1)
1 / 0
P48058 Glutamate receptor 4 NS CHEMBL122005 CHEMBL878454 (1)
0 / 0
P16473 Thyrotropin receptor Glycohormone receptor CHEMBL1356611 CHEMBL1614281 (1) CHEMBL1614361 (1)
3 / 2
P42261 Glutamate receptor 1 NS CHEMBL122005 CHEMBL878883 (1)
0 / 0
Q16478 Glutamate receptor ionotropic, kainate 5 NS CHEMBL122005 CHEMBL698076 (1)
0 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1356611 CHEMBL1741325 (1)
0 / 1
P54132 Bloom syndrome protein Enzyme CHEMBL366489 CHEMBL1614522 (1) CHEMBL1614067 (1)
1 / 2
P11021 78 kDa glucose-regulated protein Unclassified protein CHEMBL122005 CHEMBL1963893 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1356611 CHEMBL1741322 (1)
0 / 0
Q04609 Glutamate carboxypeptidase 2 M28B CHEMBL122005 CHEMBL888570 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1356611 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1356611 CHEMBL1741324 (1)
0 / 1
P42262 Glutamate receptor 2 NS CHEMBL122005 CHEMBL696974 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL122005 CHEMBL1738442 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (6)

OMIM preferred title UniProt
#210900 Bloom syndrome; blm P54132
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#603373 Hyperthyroidism, familial gestational P16473
#609152 Hyperthyroidism, nonautoimmune P16473
#275200 Hypothyroidism, congenital, nongoitrous, 1; chng1 P16473

KEGG DISEASE (7)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P16473 (related)
H01269 Congenital hyperthyroidism P16473 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00094 DNA repair defects P54132 (related)
H00296 Defects in RecQ helicases P54132 (related)