PCIDB

KNApSAcK Metabolite C00026981

Metabolite

KNApSAcK Entry

id C00026981
Name Isatin
CAS RN 91-56-5
Standard InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
Standard InChI (Main Layer) InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)

Cluster

Phytochemical cluster
KCF-S cluster No. 2737

Link

ChEMBL

By standard InChI CHEMBL326294
By standard InChI Main Layer CHEMBL326294

KEGG

By LinkDB C11129

CTD

By CAS RN D007510

Human Protein / Gene in interaction

8 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P27338 Amine oxidase [flavin-containing] B Oxidoreductase CHEMBL326294 CHEMBL884737 (1) CHEMBL972369 (1)
CHEMBL1111192 (1) CHEMBL1113951 (1)
CHEMBL1114851 (1) CHEMBL1217544 (1)
CHEMBL1217610 (1) CHEMBL1217613 (1)
CHEMBL1246375 (1) CHEMBL1251644 (1)
CHEMBL1273211 (1) CHEMBL1648131 (2)
CHEMBL1815015 (1) CHEMBL1815019 (1)
CHEMBL1817454 (1) CHEMBL1816568 (1)
CHEMBL1833115 (1) CHEMBL2154471 (1)
CHEMBL2342100 (1) CHEMBL2342557 (1)
CHEMBL2342563 (1)
0 / 0
P21397 Amine oxidase [flavin-containing] A Oxidoreductase CHEMBL326294 CHEMBL972368 (1) CHEMBL1111191 (1)
CHEMBL1217541 (1) CHEMBL1217545 (1)
CHEMBL1217607 (1) CHEMBL1246374 (1)
CHEMBL1251645 (1) CHEMBL1273210 (1)
CHEMBL1648130 (2) CHEMBL1816567 (1)
CHEMBL1831418 (1) CHEMBL2154473 (1)
CHEMBL2342564 (1)
1 / 1
O75496 Geminin Unclassified protein CHEMBL326294 CHEMBL2114780 (1)
0 / 0
P21980 Protein-glutamine gamma-glutamyltransferase 2 Enzyme CHEMBL326294 CHEMBL1771981 (1)
0 / 0
P06276 Cholinesterase Hydrolase CHEMBL326294 CHEMBL918630 (1)
0 / 0
P22303 Acetylcholinesterase Hydrolase CHEMBL326294 CHEMBL918629 (1)
1 / 0
P02766 Transthyretin Secreted protein CHEMBL326294 CHEMBL1048170 (1) CHEMBL1048172 (1)
CHEMBL1048173 (1)
3 / 2
P23141 Liver carboxylesterase 1 Enzyme CHEMBL326294 CHEMBL918627 (1)
0 / 0

CTD interaction (20)

compound gene gene name gene description interaction interaction type form reference
pmid
D007510 231 AKR1B1
ADR
ALDR1
ALR2
AR
aldo-keto reductase family 1, member B1 (aldose reductase) (EC:1.1.1.21) AKR1B1 protein results in increased reduction of Isatin increases reduction
protein 10510318
D007510 8574 AKR7A2
AFAR
AFAR1
AFB1-AR1
AKR7
aldo-keto reductase family 7, member A2 (aflatoxin aldehyde reductase) (EC:1.1.1.n11) AKR7A2 protein results in increased reduction of Isatin increases reduction
protein 10510318
D007510 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) [Copper binds to Isatin binds to 2-(2-aminoethyl)pyridine] which results in increased cleavage of CASP3 protein affects binding
/ increases cleavage
protein 17327230
D007510 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) [Copper binds to Isatin binds to trimethylenediamine] which results in increased cleavage of CASP3 protein affects binding
/ increases cleavage
protein 17327230
D007510 842 CASP9
APAF-3
APAF3
ICE-LAP6
MCH6
PPP1R56
caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) [Copper binds to Isatin binds to 2-(2-aminoethyl)pyridine] which results in increased cleavage of CASP9 protein affects binding
/ increases cleavage
protein 17327230
D007510 842 CASP9
APAF-3
APAF3
ICE-LAP6
MCH6
PPP1R56
caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) [Copper binds to Isatin binds to trimethylenediamine] which results in increased cleavage of CASP9 protein affects binding
/ increases cleavage
protein 17327230
D007510 874 CBR3
SDR21C2
hCBR3
carbonyl reductase 3 (EC:1.1.1.184) CBR3 protein results in increased metabolism of Isatin increases metabolic processing
protein 19061875
D007510 1026 CDKN1A
CAP20
CDKN1
CIP1
MDA-6
P21
SDI1
WAF1
p21CIP1
cyclin-dependent kinase inhibitor 1A (p21, Cip1) [Copper binds to Isatin binds to 2-(2-aminoethyl)pyridine] which results in increased expression of CDKN1A protein affects binding
/ increases expression
protein 17327230
D007510 1026 CDKN1A
CAP20
CDKN1
CIP1
MDA-6
P21
SDI1
WAF1
p21CIP1
cyclin-dependent kinase inhibitor 1A (p21, Cip1) [Copper binds to Isatin binds to trimethylenediamine] which results in increased expression of CDKN1A protein affects binding
/ increases expression
protein 17327230
D007510 1026 CDKN1A
CAP20
CDKN1
CIP1
MDA-6
P21
SDI1
WAF1
p21CIP1
cyclin-dependent kinase inhibitor 1A (p21, Cip1) Tretinoin inhibits the reaction [[Copper binds to Isatin binds to trimethylenediamine] which results in increased expression of CDKN1A protein] affects binding
/ decreases reaction
/ increases expression
protein 17327230
D007510 54205 CYCS
CYC
HCS
THC4
cytochrome c, somatic [Copper binds to Isatin binds to 2-(2-aminoethyl)pyridine] which affects the localization of CYCS protein affects binding
/ affects localization
protein 17327230
D007510 54205 CYCS
CYC
HCS
THC4
cytochrome c, somatic [Copper binds to Isatin binds to trimethylenediamine] which affects the localization of CYCS protein affects binding
/ affects localization
protein 17327230
D007510 1548 CYP2A6
CPA6
CYP2A
CYP2A3
CYPIIA6
P450C2A
P450PB
cytochrome P450, family 2, subfamily A, polypeptide 6 (EC:1.14.14.1) Isatin results in increased expression of CYP2A6 mRNA increases expression
mRNA 15056799
D007510 1565 CYP2D6
CPD6
CYP2D
CYP2D7AP
CYP2D7BP
CYP2D7P2
CYP2D8P2
CYP2DL1
CYPIID6
P450-DB1
P450C2D
P450DB1
cytochrome P450, family 2, subfamily D, polypeptide 6 (EC:1.14.14.1) Isatin results in increased expression of CYP2D6 mRNA increases expression
mRNA 15056799
D007510 1571 CYP2E1
CPE1
CYP2E
P450-J
P450C2E
cytochrome P450, family 2, subfamily E, polypeptide 1 (EC:1.14.13.n7) Isatin results in increased expression of CYP2E1 mRNA increases expression
mRNA 15056799
D007510 6647 SOD1
ALS
ALS1
IPOA
SOD
hSod1
homodimer
superoxide dismutase 1, soluble (EC:1.15.1.1) SOD1 protein results in decreased susceptibility to [Copper binds to Isatin binds to 2-(2-aminoethyl)pyridine] affects binding
/ decreases response to substance
protein 17327230
D007510 6647 SOD1
ALS
ALS1
IPOA
SOD
hSod1
homodimer
superoxide dismutase 1, soluble (EC:1.15.1.1) SOD1 protein results in decreased susceptibility to [Copper binds to Isatin binds to trimethylenediamine] affects binding
/ decreases response to substance
protein 17327230
D007510 7157 TP53
BCC7
LFS1
P53
TRP53
tumor protein p53 [Copper binds to Isatin binds to 2-(2-aminoethyl)pyridine] which results in increased expression of TP53 protein affects binding
/ increases expression
protein 17327230
D007510 7157 TP53
BCC7
LFS1
P53
TRP53
tumor protein p53 [Copper binds to Isatin binds to trimethylenediamine] which results in increased expression of TP53 protein affects binding
/ increases expression
protein 17327230
D007510 7157 TP53
BCC7
LFS1
P53
TRP53
tumor protein p53 Tretinoin inhibits the reaction [[Copper binds to Isatin binds to trimethylenediamine] which results in increased expression of TP53 protein] affects binding
/ decreases reaction
/ increases expression
protein 17327230

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (5)

OMIM preferred title UniProt
#105210 Amyloidosis, hereditary, transthyretin-related P02766
#300615 Brunner syndrome P21397
#115430 Carpal tunnel syndrome; cts1 P02766
#145680 Dystransthyretinemic euthyroidal hyperthyroxinemia P02766
#112100 Yt blood group antigen P22303

KEGG DISEASE (3)

KEGG disease name UniProt
H00798 Familial carpal tunnel syndrome P02766 (related)
H00845 Familial amyloidosis P02766 (related)
H00548 Brunner syndrome P21397 (related)