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Drug-Target Interaction

Drug

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PubChem ID:712
Structure:
Synonyms:
104512-58-5
104512-63-2
104814-22-4
112068-71-0
12795-06-1
15512_RIEDEL
15512_SIAL
15513_RIEDEL
15513_SIAL
158127_SIAL
1HG84L3525
252549_SIAL
30525-89-4
33220_RIEDEL
33220_SIAL
441244_ALDRICH
47083U_SUPELCO
50-00-0
53026-80-5
533998_ALDRICH
533998_SIAL
8005-38-7
8006-07-3
8013-13-6
a carbonyl group
AB1002009
AB1002010
AC1L19UQ
AI3-26806
AIDS-186245
AIDS186245
ALCOHOL-GROUP
Aldacide
aldehido
aldehidos
Aldehyd
Aldehyd mravenci
Aldehyd mravenci [Czech]
aldehyde
Aldehyde formique
Aldehyde formique [French]
Aldehyde formique [ISO-French]
aldehydes
aldehydum
Aldeide formica
Aldeide formica [Italian]
an alcohol group
an aldehyde
BFV
BIDD:ER0493
bmse000256
C00067
c0122
C12942
C3H8O
CARBON MONOXIDE
Carbon oxide
Carbon oxide (CO)
CARBONYL-GROUP
Caswell No. 465
Caswell No. 633
CCRIS 315
cetone
CHEBI:16842
CHEBI:17087
CHEBI:17478
CHEBI:18044
CHEMBL1255
CMO
D00017
D005557
D01494
DB03843
dialkyl ketone
dialkyl ketones
Dormol
EINECS 200-001-8
EPA Pesticide Chemical Code 043001
EPA Pesticide Chemical Code 043002
F-gen
F15587_ALDRICH
F1635_SIAL
F1635_SIGMA
F8775_SIGMA
FA
Fannoform
Flo-Mor
Floguard 1015
FM 282
FOR
Fordor
Formagene
Formaldehyd
Formaldehyd [Czech, Polish]
FORMALDEHYDE
Formaldehyde (gas)
Formaldehyde (USP)
FORMALDEHYDE 37%
Formaldehyde polymer
Formaldehyde solution
Formaldehyde [BSI:ISO]
Formaldehyde, 37%, methanol-free
FORMALDEHYDE, ACS
Formaldehyde, as formalin solution
Formaldehyde, gas
Formaldehyde, solution
Formaldehyde, solution (37% to 50%)
Formaldehyde, solution, flammable
Formaldehyde, solutions (Formalin) (corrosive)
Formaldehyde, solutions with not <25% formaldehyde [UN2209] [Corrosive]
Formaldehyde, solutions with not <25% formaldehyde [UN2209] [Corrosive]
Formaldehyde, solutions, flammable [UN1198] [Flammable liquid]
Formaldehyde, solutions, flammable [UN1198] [Flammable liquid]
formalin
Formalin (JP15)
Formalin (JP16)
Formalin 40
Formalin solution, neutral buffered, 10%
Formalin-loesungen
Formalin-loesungen [German]
Formalina
Formalina [Italian]
Formaline
Formaline [German]
Formalith
Formic aldehyde
Formic aldehyde
formol
FORMYL GROUP
FYDE
HCHO
HOCH
HSDB 164
HSDB 4070
HT501128_SIGMA
HT5011_SIGMA
HT5012_SIGMA
HT501320_SIGMA
HT5014_SIGMA
HT501640_SIGMA
HT501850_SIGMA
Hyperband
Hyperband (TN)
Ivalon
Karsan
Keton
ketone
ketones
LS-101266
LS-134
Lysoform
Melamine-Formaldehyde Resin
metaformaldehyde
Methaldehyde
Methan 21
methanal
Methyl aldehyde
methylene glycol
Methylene oxide
MolPort-001-785-627
Morbicid
nchem.467-comp1
nchembio.123-comp9
nchembio.146-comp5
nchembio.172-comp3
NCI-C02799
NSC 298885
NSC298885
Oilstop, Halowax
Oplossingen
Oplossingen [Dutch]
Oxomethane
Oxomethylene
Oxymethylene
P0018
P6148_SIAL
Paraform
PARAFORMALDEHYDE
Paraformaldehyde (JP15)
Paraformaldehyde (JP16)
Paraformaldehyde [JAN]
Paraformaldehyde [UN2213] [Flammable solid]
Paraformaldehyde [UN2213] [Flammable solid]
Paraformaldehyde, polymer
Paraformaldehydum
Paraformic aldehyde
Poly(oxymethylene)
Polyformaldehyde
Polymerised formaldehyde
Polyoxymethylene
Polyoxymethylene glycol
R-CO-R'
RC(=O)H
RCRA waste no. U122
RCRA waste number U122
RFPDT@
Superlysoform
UN 1198
UN 2209 (formalin)
UN1198
UN2209
UN2213
UNII-1HG84L3525
Veracur
WLN: VHH

Target

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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:
----

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.