PCIDB

KNApSAcK Metabolite C00000116

Metabolite

KNApSAcK Entry

id C00000116
Name IBA / Indole-3-butyric acid / 1H-Indole-3-butanoic acid
CAS RN 133-32-4
Standard InChI InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
Standard InChI (Main Layer) InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 1432

Link

ChEMBL

By standard InChI CHEMBL582878
By standard InChI Main Layer CHEMBL582878

KEGG

By LinkDB C11284

CTD

By CAS RN C014612

Human Protein / Gene in interaction

6 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q03181 Peroxisome proliferator-activated receptor delta NR1C2 CHEMBL582878 CHEMBL1794552 (1)
0 / 0
P19793 Retinoic acid receptor RXR-alpha NR2B1 CHEMBL582878 CHEMBL1794371 (1)
0 / 0
P37231 Peroxisome proliferator-activated receptor gamma NR1C3 CHEMBL582878 CHEMBL1794293 (1)
5 / 3
P03372 Estrogen receptor NR3A1 CHEMBL582878 CHEMBL1794364 (1)
1 / 1
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL582878 CHEMBL2114890 (1)
0 / 0
P10275 Androgen receptor NR3C4 CHEMBL582878 CHEMBL1794321 (1) CHEMBL1794560 (1)
3 / 4

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (9)

OMIM preferred title UniProt
#300068 Androgen insensitivity syndrome; ais P10275
#312300 Androgen insensitivity, partial; pais P10275
%606641 Body mass index; bmi P37231
#609338 Carotid intimal medial thickness 1 P37231
#615363 Estrogen resistance; estrr P03372
#137800 Glioma susceptibility 1; glm1 P37231
#604367 Lipodystrophy, familial partial, type 3; fpld3 P37231
#601665 Obesity P37231
#313200 Spinal and bulbar muscular atrophy, x-linked 1; smax1 P10275

KEGG DISEASE (8)

KEGG disease name UniProt
H00026 Endometrial Cancer P03372 (marker)
H00024 Prostate cancer P10275 (related)
H00062 Spinal and bulbar muscular atrophy (SBMA) P10275 (related)
H00608 46,XY disorders of sex development (Disorders in androgen synthesis or action) P10275 (related)
H00609 46,XY disorders of sex development (Other) P10275 (related)
H00032 Thyroid cancer P37231 (related)
H00409 Type II diabetes mellitus P37231 (related)
H00420 Familial partial lipodystrophy (FPL) P37231 (related)