ALDOSE REDUCTASE MUTANT LEU 300 PRO COMPLEXED WITH FIDARESTAT
PDB id Source Resolution
2AGT 1.0 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
CL Invalid            
FID Valid ic50 =  9.0 nM   launch gocavviewer-lite   279.224
C12 H10 F N3 O4
 c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3
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
CIT Invalid            

FACTORIZING SELECTIVITY DETERMINANTS OF INHIBITOR BINDING TOWARD ALDOSE AND ALDEHYDE REDUCTASES: STRUCTURAL AND THERMODYNAMIC PROPERTIES OF THE ALDOSE REDUCTASE MUTANT LEU300PRO-FIDARESTAT COMPLEX J.MED.CHEM. V. 48 5659 2005

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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