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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

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Uniprot ID:CP1A2_HUMAN
Synonyms:
CYPIA2
Cytochrome P450 1A2
P(3)450
P450 4
P450-P3
EC-Numbers:1.14.14.1
Organism:Homo sapiens
Human
PDB IDs:2HI4
Structure:
2HI4

Binding Affinities:

Ki: Kd:Ic 50:Ec50/Ic50:
----
--4097-

References:

16226778
Effect of Ginkgo biloba extract on procarcinogen-bioactivating human CYP1 enzymes: identification of isorhamnetin, kaempferol, and quercetin as potent inhibitors of CYP1B1.. Thomas K H Chang; Jie Chen; Eugene Y H Yeung (2006) Toxicology and applied pharmacology display abstract
In the present study, we investigated the effect of Ginkgo biloba extracts and some of its individual constituents on the catalytic activity of human cytochrome P450 enzymes CYP1B1, CYP1A1, and CYP1A2. G. biloba extract of known abundance of terpene trilactones and flavonol glycosides inhibited 7-ethoxyresorufin O-dealkylation catalyzed by human recombinant CYP1B1, CYP1A1, and CYP1A2, and human liver microsomes, with apparent Ki values of 2 +/- 0.3, 5 +/- 0.5, 16 +/- 1.4, and 39 +/- 1.2 microg/ml (mean +/- SE), respectively. In each case, the mode of inhibition was of the mixed type. Bilobalide, ginkgolides A, B, C, and J, quercetin 3-O-rutinoside, kaempferol 3-O-rutinoside, and isorhamentin 3-O-rutinoside were not responsible for the inhibition of CYP1 enzymes by G. biloba extract, as determined by experiments with these individual chemicals at the levels present in the extract. In contrast, the aglycones of quercetin, kaempferol, and isorhamentin inhibited CYP1B1, CYP1A1, and CYP1A2. Among the three flavonol aglycones, isorhamentin was the most potent in inhibiting CYP1B1 (apparent Ki = 3 +/- 0.1 nM), whereas quercetin was the least potent in inhibiting CYP1A2 (apparent Ki = 418 +/- 50 nM). The mode of inhibition was competitive, noncompetitive, or mixed, depending on the enzyme and the flavonol. G. biloba extract also reduced benzo[a]pyrene hydroxylation, and the effect was greater with CYP1B1 than with CYP1A1 as the catalyst. Overall, our novel findings indicate that G. biloba extract and the flavonol aglycones isorhamnetin, kaempferol, and quercetin preferentially inhibit the in vitro catalytic activity of human CYP1B1.