Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T91331 Target Info
Target Name Fibroblast growth factor receptor 3 (FGFR3)
Synonyms JTK4; FGFR-3; CD333
Target Type Successful Target
Gene Name FGFR3
Biochemical Class Kinase
UniProt ID
FGFR3_HUMAN
Ligand General Information  Top
Ligand Name Phosphonotyrosine Ligand Info
Canonical SMILES C1=CC(=CC=C1CC(C(=O)O)N)OP(=O)(O)O
InChI 1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
InChIKey DCWXELXMIBXGTH-QMMMGPOBSA-N
PubChem Compound ID 30819
Drug Binding Sites of Target  Top
PDB ID: 6LVM      Crystal structure of FGFR3 in complex with pyrimidine derivative
Method X-ray diffraction Resolution 2.53 Å Mutation No [1]
PDB Sequence
PEDPKWEFPR
469
DKLTLGKPLG
479
EGCFGQVVMA
489
EAIGIDKDRA
499
AKPVTVAVKM
509

LKDDATDKDL
519
SDLVSEMEMM
529
KMIGKHKNII
539
NLLGACTQGG
549
PLYVLVEYAA
559

KGNLREFLRA
569
RRPPGLDSEQ
588
LTFKDLVSCA
598
YQVARGMEYL
608
ASQKCIHRDL
618

AARNVLVTED
628
NVMKIADFGL
638
ARDVHNLDKK
650
TTNGRLPVKW
660
MAPEALFDRV
670

YTHQSDVWSF
680
GVLLWEIFTL
690
GGSPYPGIPV
700
EELFKLLKEG
710
HRMDKPANCT
720

HDLYMIMREC
730
WHAAPSQRPT
740
FKQLVEDLDR
750
VLTVT
Residue
Distance (Å)
PRO573
3.950
GLY574
3.596
LEU575
3.343
ASP576
1.345
SER578
1.340
ARG616
3.869
ARG640
3.023
VAL642
3.078
LEU645
3.279
Residue
Distance (Å)
ASP646
1.348
LYS649
1.342
LYS650
2.520
THR652
3.817
ARG669
3.676
VAL670
3.691
TYR671
2.781
THR672
3.890
PDB ID: 7DHL      Crystal structure of FGFR3 in complex with pyrimidine derivative
Method X-ray diffraction Resolution 2.57 Å Mutation No [2]
PDB Sequence
PEDPKWEFPR
469
DKLTLGKPLG
479
EGCFGQVVMA
489
EAIGIDKDRA
499
AKPVTVAVKM
509

LKDDATDKDL
519
SDLVSEMEMM
529
KMIGKHKNII
539
NLLGACTQGG
549
PLYVLVEYAA
559

KGNLREFLRA
569
RRPPGLDSFE
587
QLTFKDLVSC
597
AYQVARGMEY
607
LASQKCIHRD
617

LAARNVLVTE
627
DNVMKIADFG
637
LARDVHNLDK
649
KTTNGRLPVK
659
WMAPEALFDR
669

VYTHQSDVWS
679
FGVLLWEIFT
689
LGGSPYPGIP
699
VEELFKLLKE
709
GHRMDKPANC
719

THDLYMIMRE
729
CWHAAPSQRP
739
TFKQLVEDLD
749
RVLTVT
Residue
Distance (Å)
PRO573
3.496
GLY574
3.227
LEU575
3.411
ASP576
1.343
SER578
1.340
PHE579
4.879
ILE614
4.172
ARG616
3.646
ARG640
2.974
VAL642
3.078
Residue
Distance (Å)
LEU645
3.205
ASP646
1.342
LYS649
1.344
LYS650
2.665
THR651
4.935
THR652
4.024
ARG669
3.755
VAL670
3.694
TYR671
2.756
THR672
3.842
References  Top
REF 1 Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2. Bioorg Med Chem. 2020 May 15;28(10):115453.
REF 2 Synthesis and structure-activity relationships of pyrimidine derivatives as potent and orally active FGFR3 inhibitors with both increased systemic exposure and enhanced in vitro potency. Bioorg Med Chem. 2021 Mar 1;33:116019.

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