CRYSTAL STRUCTURE OF ALDOSE REDUCTASE COMPLEXED WITH 2- HYDROXYPHENYLACETIC ACID
PDB id Source Resolution
2INZ 1.95 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
NAP Valid submit data   launch gocavviewer-lite   743.405
C21 H28 N7 O17 P3
 c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
OHP Valid Ki =  3.5 uM   launch gocavviewer-lite   152.147
C8 H8 O3
 c1ccc(c(c1)CC(=O)O)O

STRUCTURAL AND THERMODYNAMIC STUDIES OF SIMPLE ALDOSE REDUCTASE-INHIBITOR COMPLEXES. BIOORG.CHEM. V. 34 424 2006

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90% Homology Family

The Class containing this family consists of a total of 5 families.
Leader:    1MAR
REFINED 1.8 ANGSTROMS STRUCTURE OF HUMAN ALDOSE
REDUCTASE COMPLEXED WITH THE POTENT INHIBITOR ZOPOLRESTAT
PDB id Binding data Representative ligand
1MAR ic50 = 3.0 nM ZST
1ABN   NDP
1ADS   NAP
1AZ1   NAP
1EL3   NAP
1IEI ic50 = 44.0 nM ZES
1PWL   NAP
1PWM   NAP
1T40   NAP
1T41   NAP
1US0 ic50 = 30.0 nM LDT
1X96   NAP
1X97 ic50 = 0.57 uM FIR
1X98 ic50 = 11.0 uM FIS
1Z3N ic50 = 5.0 nM 3NA
1Z89 Ka = 1100000.0 M^-1 62P
1Z8A Ka = 1100000.0 M^-1 62P
2ACQ   G6P
2ACR   NAP
2ACS   NAP
2ACU   NAP
2AGT ic50 = 9.0 nM FID
2DUX   ZST
2DUZ   ZST
2DV0   ZST
2F2K   TGG
2FZ8   ZST
2FZ9   ZST
2FZB   NAP
2FZD   NAP
2HV5   ZST
2HVN   ZST
2HVO   ZST
2I16   NDP
2I17   NDP
2IKG ic50 = 0.53 uM BTO
2IKH ic50 = 4.1 uM LIT
2IKI Kd = 0.032 uM 388
2IKJ Kd = 0.04 uM 393
2INE Ki = 96.0 uM PAC
2INZ Ki = 3.5 uM OHP
2IPW Ki = 1.0 uM 2CL
2IQ0 Ki = 68.6 uM 6NA
2IQD Ki = 25.5 uM LPA
2IS7 Ki = 4.4 uM 2CL
2ISF Ki = 360.0 uM PAC
2J8T   FLC
2NVC ic50 = 0.14 uM ITA
2NVD ic50 = 0.55 uM ITB
2PD5 Kd = 37.0 nM ZST
2PD9 Kd = 8.3 nM FID
2PDB Kd = 97.0 nM ZST
2PDC Kd = 256.4 nM 393
2PDF Kd = 217.0 nM ZST
2PDG Kd = 35.5 nM 47D
2PDH Kd = 227.0 nM 47D
2PDI Kd = 53.2 nM ZST
2PDJ Kd = 86.2 nM 393
2PDK Kd = 270.0 nM SBI
2PDL Kd = 588.0 nM TOL
2PDM Kd = 0.4 uM ZST
2PDN Kd = 3.8 uM 47D
2PDP Kd = 2.8 uM 393
2PDQ Kd = 2.0 uM 47D
2PDU Kd = 2.5 uM 393
2PDW Kd = 37.0 nM FID
2PDX Kd = 2.38 uM ZST
2PDY Kd = 158.0 nM FID
2QXW   NDP
3BCJ   NAP
3DN5 ic50 = 0.17 uM 53N
3G5E ic50 = 7.0 nM Q74
3GHR   NDP
3GHS   NDP
3GHT   NDP
3GHU   NDP
3LBO Kd = 21.9 nM LDT
3LD5 Kd = 1.19 uM LDT
3LEN Kd = 2.56 uM ZST
3LEP Kd = 0.11 uM 388
3LQG Kd = 0.301 uM 388
3LQL Kd = 1.64 uM LDT
3LZ3   388
3LZ5 Kd = 0.827 uM LDT
3M0I Kd = 1.85 uM ZST
3M4H Kd = 1.01 uM 388
3M64 Kd = 1.51 uM 393
3MB9 Kd = 0.106 uM ZST
3MC5 Kd = 1.51 uM 393
3ONB   LDT
3ONC   LDT
3P2V Kd = 1.29 uM DOY
3Q65   NAP
3Q67   NAP
3T42 Ki = 107.0 nM 3T4
3U2C ic50 = 0.4 uM SUZ