PCIDB

KNApSAcK Metabolite C00000740

Metabolite

KNApSAcK Entry

id C00000740
Name Gabaculine
CAS RN 59556-29-5
Standard InChI InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4,8H2,(H,9,10)/t6-/m1/s1
Standard InChI (Main Layer) InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4,8H2,(H,9,10)

Cluster

Phytochemical cluster
KCF-S cluster No. 8239

Link

ChEMBL

By standard InChI CHEMBL1474486
By standard InChI Main Layer CHEMBL1394922 CHEMBL1474486

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Streptomycetaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Streptomyces toyoycaensis 1883 Streptomycetaceae Bacteria

Human Protein / Gene in interaction

17 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1474486 CHEMBL1741321 (1)
1 / 0
P49798 Regulator of G-protein signaling 4 Unclassified protein CHEMBL1394922 CHEMBL1794499 (1)
2 / 0
P16473 Thyrotropin receptor Glycohormone receptor CHEMBL1474486 CHEMBL1614361 (1)
3 / 2
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1474486 CHEMBL1741325 (1)
0 / 1
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL1394922 CHEMBL1738606 (1)
0 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL1474486 CHEMBL1613808 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1474486 CHEMBL1741322 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL1474486 CHEMBL1614227 (1)
3 / 3
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL1394922 CHEMBL1737868 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1474486 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1474486 CHEMBL1741324 (1)
0 / 1
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL1394922 CHEMBL1614211 (1)
0 / 0
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL1394922 CHEMBL1794536 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL1394922 CHEMBL1738442 (1)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL1394922 CHEMBL1614364 (1) CHEMBL1738394 (1)
1 / 1
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL1394922 CHEMBL1613933 (1)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL1394922 CHEMBL1613933 (1)
1 / 6

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (12)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#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
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196
#604906 Schizophrenia 9; sczd9 P49798
#181500 Schizophrenia; sczd P49798
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8

KEGG DISEASE (13)

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)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q01196 (related)
Q01196 (marker)
H00003 Acute myeloid leukemia (AML) Q01196 (related)
Q01196 (marker)
Q13951 (marker)
H00004 Chronic myeloid leukemia (CML) Q01196 (related)
H00978 Thrombocytopenia (THC) Q01196 (related)
H00480 Non-syndromic X-linked mental retardation Q99714 (related)
H00658 Syndromic X-linked mental retardation Q99714 (related)
H00925 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency Q99714 (related)
H00063 Spinocerebellar ataxia (SCA) Q9NUW8 (related)