Target Binding Site Detail

Content Navigation (  All   None )                                      
Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T80975 Target Info
Target Name Vascular endothelial growth factor receptor 2 (KDR)
Synonyms VEGFR2; VEGFR-2; VEGF-2 receptor; Protein-tyrosine kinase receptor flk-1; Kinase insert domain receptor; Fetal liver kinase 1; FLK1; FLK-1; CD309
Target Type Successful Target
Gene Name KDR
Biochemical Class Kinase
UniProt ID
VGFR2_HUMAN
Ligand General Information  Top
Ligand Name Cysteine Sulfenic Acid Ligand Info
Canonical SMILES C(C(C(=O)O)N)SO
InChI 1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey FXIRVRPOOYSARH-REOHCLBHSA-N
PubChem Compound ID 165339
Drug Binding Sites of Target  Top
PDB ID: 3CJF      Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine
Method X-ray diffraction Resolution 2.15 Å Mutation No [1]
PDB Sequence
CERLPYDASK
824
WEFPRDRLNL
834
GKPLGRGAFG
844
QVIEADAFGI
854
DKTATRTVAV
865

KMLKEGATHS
875
EHRALMSELK
885
ILIHIGHHLN
895
VVNLLGACTK
905
PGGPLMVIVE
915

FCKFGNLSTY
925
LRSKRNEFVP
935
YKKDFLTLEH
1002
LIYSFQVAKG
1013
MEFLASRKIH
1024

RDLAARNILL
1034
SEKNVVKIDL
1047
ARDIYKPLKW
1069
MAPETIFDRV
1079
YTIQSDVWSF
1089

GVLLWEIFSL
1099
GASPYPGVKI
1109
DEEFRRLKEG
1120
TRMRAPDYTT
1130
PEMYQTMLDC
1140

WHGEPSQRPT
1150
FSELVEHLGN
1160
LLQANA
Residue
Distance (Å)
ASP850
4.786
ALA851
3.314
PHE852
3.457
ALA858
4.548
THR859
1.333
ARG861
1.333
THR862
4.313
ILE886
4.525
ILE890
3.712
VAL897
3.735
LEU1000
4.604
GLU1001
2.787
HIS1002
3.168
LEU1003
3.206
ILE1004
1.336
TYR1006
1.330
SER1007
3.277
PHE1008
3.393
GLN1009
2.958
LEU1017
3.043
ALA1018
4.165
ARG1020
3.362
LYS1021
1.332
ILE1023
1.325
HIS1024
2.895
ARG1030
4.823
Residue
Distance (Å)
ASN1031
2.753
ILE1032
4.653
LEU1033
4.029
ASN1038
4.795
LYS1041
3.264
ILE1042
1.332
ASP1044
1.331
LEU1047
4.687
ALA1048
4.840
ARG1049
3.407
ASP1050
4.868
LEU1067
4.830
ILE1075
3.970
PHE1076
3.852
ILE1082
3.600
ASP1085
4.785
ASP1110
3.106
GLU1111
3.618
GLU1112
3.181
PHE1113
1.333
ARG1115
1.336
ARG1116
3.331
LEU1117
3.428
LYS1118
3.073
LEU1162
3.618
PDB ID: 3CJG      Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine
Method X-ray diffraction Resolution 2.25 Å Mutation No [1]
PDB Sequence
HCERLPYDAS
823
KWEFPRDRLN
833
LGKPLGRGQV
846
IEADAFGIDK
856
TATRTVAVKM
867

LKEGATHSEH
877
RALMSELKIL
887
IHIGHHLNVV
897
NLLGACTKPG
907
GPLMVIVEFC
917

KFGNLSTYLR
927
SKRNEFVPYK
937
DLYKDFLTLE
1001
HLICYSFQVA
1011
KGMEFLASRK
1021

IHRDLAARNI
1032
LLSEKNVVKI
1042
CDFGLARDIP
1066
LKWMAPETIF
1076
DRVYTIQSDV
1086

WSFGVLLWEI
1096
FSLGASPYPG
1106
VKIDEEFCRR
1116
LKEGTRMRAP
1126
DYTTPEMYQT
1136

MLDCWHGEPS
1146
QRPTFSELVE
1156
HLGNLLQANA
1166
Residue
Distance (Å)
ASP850
3.636
ALA851
3.523
PHE852
3.713
ALA858
4.441
THR859
1.337
ARG861
1.330
THR862
4.440
ILE886
4.421
HIS889
4.984
ILE890
3.799
LEU1017
3.014
Residue
Distance (Å)
ALA1018
4.039
ARG1020
3.218
LYS1021
1.338
ILE1023
1.331
HIS1024
4.211
ALA1048
4.535
ARG1049
3.077
ASP1050
4.647
ILE1051
4.665
ILE1082
3.593
ASP1085
4.724
References  Top
REF 1 Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor. J Med Chem. 2008 Aug 14;51(15):4632-40.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.