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Drug-Target Interaction

Drug

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PubChem ID:5280343
Structure:
Synonyms:
"quercetin; 3,3',4',5,7-pentahydroxyflavone"
117-39-5
117-39-5 (NEUTRAL )
2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one dihydrate
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
3',4',5,7-Tetrahydroxyflavan-3-ol
3',4',5,7-tetrahydroxyflavon-3-ol
3,3',4',5,7-Pentahydroxyflavone
3,3',4',5,7-Pentahydroxyflavone dihydrate
3,3',4,5,7-Pentahydroxyflavone
3,5,7,3',4'-Pentahydroxyflavone
3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on
3,5,7-trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one
3cf8
49643640-FD4C-4B93-BD28-0D7C2021CC52
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-
5-18-05-00494 (Beilstein Handbook Reference)
6151-25-3 (DIHYDRATE)
7255-55-2
7255-55-2 (ZIRCONIUM SALT)
73123-10-1
74893-81-5
A1784/0075599
AC-19596
AC1NQWX8
AC1Q795S
AC1Q795T
ACon1_000560
AI3-26018
AIDS-000487
AIDS000487
AKOS000511724
BAS 00649429
BIDD:ER0315
BIDD:PXR0007
Bio1_000369
Bio1_000858
Bio1_001347
Bio2_000374
Bio2_000854
BiomolKI2_000068
BiomolKI_000062
BPBio1_000477
BRD-K97399794-001-02-1
BRD-K97399794-001-07-0
BRD-K97399794-335-03-1
BRN 0317313
BSPBio_000433
BSPBio_001068
BSPBio_002243
C.I . natural yellow 10
C.I. 75670
C.I. natural red 1
C.I. Natural Yellow 10
C.I. natural yellow 10 & 13
C00389
c0808
CCG-40054
CCRIS 1639
CHEBI:16243
CHEMBL50
CI 75670
CI Natural Yellow 10
CU-01000012502-3
Cyanidanol
Cyanidelonon 1522
D011794
DB04216
DivK1c_000485
EINECS 204-187-1
Enicostemma Littorale Blume
EU-0100999
Flavin meletin
Flavone, 3,3',4',5,7-pentahydroxy-
Flavone, 3,4',5,5',7-pentahydroxy-
HMS1362F09
HMS1792F09
HMS1923O19
HMS1990F09
HMS3263G19
HMS501I07
HSDB 3529
IDI1_000485
IDI1_002129
K00029
KBio1_000485
KBio2_000408
KBio2_000584
KBio2_002976
KBio2_003152
KBio2_005544
KBio2_005720
KBio3_000775
KBio3_000776
KBio3_001463
KBioGR_000408
KBioGR_001293
KBioSS_000408
KBioSS_000584
KSC-10-126
KSC-23-76
KUC104418N
KUC107684N
Kvercetin
Kvercetin [Czech]
LIM-5662
LMPK12110004
LNS-5662
Lopac-Q-0125
Lopac0_000999
LS-589
LS-69030
Maybridge1_008992
MEGxp0_000381
Meletin
MixCom3_000183
MolPort-001-740-557
Natural Yellow 10
NCGC00015870-01
NCGC00015870-02
NCGC00015870-03
NCGC00015870-05
NCGC00015870-06
NCGC00015870-07
NCGC00015870-08
NCGC00015870-09
NCGC00015870-10
NCGC00015870-11
NCGC00015870-12
NCGC00015870-13
NCGC00015870-14
NCGC00015870-15
NCGC00015870-16
NCGC00015870-17
NCGC00015870-18
NCGC00015870-19
NCGC00015870-21
NCGC00015870-22
NCGC00015870-23
NCGC00015870-24
NCGC00025016-01
NCGC00025016-02
NCGC00025016-03
NCGC00025016-04
NCGC00025016-05
NCGC00025016-06
NCGC00025016-07
NCGC00025016-08
NCGC00168962-01
NCGC00168962-02
NCGC00168962-03
NCGC00168962-04
nchembio.117-comp3
NChemBio.2007.10-comp11
nchembio.65-comp4
NCI-C60106
NCI60_042036
NCIOpen2_007628
NCIOpen2_007882
NINDS_000485
NSC 9219
NSC 9221
NSC-9219
NSC324608
NSC57655
NSC57655 (ALUMINUM SALT)
NSC58588
NSC58588 (ZIRCONIUM SALT)
NSC9219
NSC9219 (NEUTRAL)
P0042
Prestwick0_000507
Prestwick1_000507
Prestwick2_000507
Prestwick3_000507
Q 0125
QUE
Quer
Quercetin
Quercetin content
Quercetin dihydrate
Quercetin, Sophoretin, Meletin, Quercetine
Quercetin-Supplied by Selleck Chemicals
Quercetin; 3,3',4',5,7-Pentahydroxyflavone
Quercetine
Quercetin_sathishkumar
Quercetol
Quercitin
Quertin
Quertine
S00057
S2391_Selleck
SGCUT00001
SMP1_000252
Sophoretin
SPBio_000217
SPBio_002354
SPECTRUM1500672
Spectrum2_000059
Spectrum3_000642
Spectrum4_000807
Spectrum5_001389
Spectrum_000124
ST024706
ST057237
STK365650
STOCK1N-04222
t-Gelb bzw. grun 1
TNP00070
TNP00089
Tocris-1125
to_000078
UNII-9IKM0I5T1E
UPCMLD-DP081
UPCMLD-DP081:001
WLN: T66 BO EVJ CR CQ DQ & DQ GQ IQ
Xanthaurine
ZINC03869685

Target

show target details
Uniprot ID:ALDR_HUMAN
Synonyms:
Aldehyde reductase
Aldose reductase
AR
EC-Numbers:1.1.1.21
Organism:Homo sapiens
Human
PDB IDs:1ABN 1ADS 1AZ1 1AZ2 1EF3 1EL3 1IEI 1MAR 1PWL 1PWM 1T40 1T41 1US0 1X96 1X97 1X98 1XGD 1Z3N 1Z89 1Z8A 2ACQ 2ACR 2ACS 2ACU 2AGT 2DUX 2DUZ 2DV0 2F2K 2FZ8 2FZ9 2FZB 2FZD 2HV5 2HVN 2HVO 2I16 2I17 2IKG 2IKH 2IKI 2IKJ 2INE 2INZ 2IPW 2IQ0 2IQD 2IS7 2ISF 2J8T 2NVC 2NVD 2PD5 2PD9 2PDB 2PDC 2PDF 2PDG 2PDH 2PDI 2PDJ 2PDK 2PDL 2PDM 2PDN 2PDP 2PDQ 2PDU 2PDW 2PDX 2PDY 2PEV 2PF8 2PFH 2PZN 2QXW 2R24 3BCJ 3DN5 3G5E 3GHR 3GHS 3GHT 3GHU
Structure:
3GHU

Binding Affinities:

Ki: Kd:Ic 50:Ec50/Ic50:
----
----
--14.8-

References:

2157439
Inhibition kinetics of human kidney aldose and aldehyde reductases by aldose reductase inhibitors.. A Bhatnagar; S Q Liu; B Das; N H Ansari; S K Srivastava (1990) Biochemical pharmacology display abstract
Kinetic patterns of inhibition of homogenous human kidney aldose reductase (AR, EC 1.1.1.21) and aldehyde reductase II (AR II, EC 1.1.1.19) by statil, ICI 105552 [1-(3,4-dichlorobenzyl)-3-methyl-1,2-dihydro-2-oxoquinol-4-yl acetic acid], tolrestat, alrestatin, chromone carboxylic acid (CCA), quercetin, phenobarbital and sorbinil were studied. On the basis of the kinetic nature of inhibition, the inhibitors were classified into four distinct categories. For aldose reductase, sorbinil and phenobarbital were noncompetitive (NC; category I) and CCA and alrestatin were uncompetitive (UC; category II) to both the aldehyde substrate and NADPH. Quercetin and ICI 105552 were NC to the aldehyde and UC to NADPH (category III) and tolrestat and statil were UC to the aldehyde and NC to NADPH (category IV). For AR II, sorbinil and alrestatin were category I inhibitors, ICI 105552 and statil belong to category II, phenobarbital, tolrestat and CCA to category III, and quercetin to category IV. To determine the specificity of inhibition, the ratios of the inhibition constants (Kii) for AR and AR II were calculated. A lower ratio indicates greater specificity. With aldehyde as the varied substrate the specificity ratios were: statil less than ICI 105552 less than alrestatin less than tolrestat less than quercetin less than CCA less than sorbinil less than phenobarbital, and with NADPH as the varied substrate, ICI 105552 less than statil less than alrestatin less than tolrestat less than quercetin less than CCA less than sorbinil less than phenobarbital. For AR, double-inhibition plots generated for one inhibitor from each kinetic category versus sorbinil showed that AR inhibitors of categories I-III bind to the same site on the protein molecule as sorbinil. However, tolrestat seemed to bind to a site different from the sorbinil binding site. For AR II, inhibitors from all the four categories appeared to bind to the same inhibitor binding site.
6820339
Susceptibility of aldehyde and aldose reductases of human tissues to aldose reductase inhibitors.. S K Srivastava; J M Petrash; I J Sadana; N H Ansari; C A Partridge (1982) Current eye research display abstract
The effect of aldose reductase inhibitors such as sorbinil, alrestatin, and quercitrin has been studied on the aldose reductase purified from human brain and lens, and aldehyde reductase I purified from human liver, and aldehyde reductase II purified from human brain, liver, and red cells. None of the aldose reductase inhibitors have been found to be specific for aldose reductase. Fifty micromolar sorbinil besides inhibiting aldose reductase, completely inhibits aldehyde reductase II from the brain, liver and red cells. Similarly, alrestatin and quercitrin also are potent inhibitors of aldehyde reductase I and aldehyde reductase II.