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 T47101 Target Info
Target Name Fibroblast growth factor receptor 1 (FGFR1)
Synonyms c-fgr; bFGF-R-1; bFGF-R; N-sam; HBGFR; Fms-like tyrosine kinase 2; FLT2; FLT-2; FLG; FGFR-1; FGFBR; CEK; CD331 antigen; CD331; Basic fibroblast growth factor receptor 1; BFGFR
Target Type Successful Target
Gene Name FGFR1
Biochemical Class Kinase
UniProt ID
FGFR1_HUMAN
Ligand General Information  Top
Ligand Name TAS-120 Ligand Info
Canonical SMILES COC1=CC(=CC(=C1)C#CC2=NN(C3=NC=NC(=C23)N)C4CCN(C4)C(=O)C=C)OC
InChI 1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1
InChIKey KEIPNCCJPRMIAX-HNNXBMFYSA-N
PubChem Compound ID 71621331
Drug Binding Sites of Target  Top
PDB ID: 6MZQ      TAS-120 in reversible binding mode with FGFR1
Method X-ray diffraction Resolution 2.00 Å Mutation No [1]
PDB Sequence
ELPEDPRWEL
473
PRDRLVLGKP
483
LGEGQVVLAE
496
AIGLDKDKPN
506
RVTKVAVKML
516

KSDATEKDLS
526
DLISEMEMMK
536
MIGKHKNIIN
546
LLGACTQDGP
556
LYVIVEYASK
566

GNLREYLQAR
576
RPPGLEYSYN
586
PSEEQLSSKD
599
LVSCAYQVAR
609
GMEYLASKKC
619

IHRDLAARNV
629
LVTEDNVMKI
639
ADFGLPVKWM
667
APEALFDRIY
677
THQSDVWSFG
687

VLLWEIFTLG
697
GSPYPGVPVE
707
ELFKLLKEGH
717
RMDKPSNCTN
727
ELYMMMRDCW
737

HAVPSQRPTF
747
KQLVEDLDRI
757
VALTSQE
Residue
Distance (Å)
LEU484
3.324
GLY485
4.140
VAL492
3.773
ALA512
3.458
LYS514
2.957
LEU528
4.836
GLU531
3.476
MET535
3.628
ILE545
3.561
VAL559
3.841
VAL561
3.760
GLU562
2.742
Residue
Distance (Å)
TYR563
3.461
ALA564
2.783
SER565
4.675
GLY567
4.215
ASN568
2.927
GLU571
4.122
ARG627
3.266
LEU630
3.469
ILE639
4.639
ALA640
3.502
ASP641
2.909
PHE642
3.569
PDB ID: 6MZW      TAS-120 covalent complex with FGFR1
Method X-ray diffraction Resolution 2.20 Å Mutation No [1]
PDB Sequence
ELPEDPRWEL
473
PRDRLVLGKP
483
LGEGCFGQVV
493
LAEAIGLDKD
503
KPNRVTKVAV
513

KMLKSDATEK
523
DLSDLISEME
533
MMKMIGKHKN
543
IINLLGACTQ
553
DGPLYVIVEY
563

ASKGNLREYL
573
QARRPPGLEY
583
SYNPSPEEQL
595
SSKDLVSCAY
605
QVARGMEYLA
615

SKKCIHRDLA
625
ARNVLVTEDN
635
VMKIADFGLP
663
VKWMAPEALF
673
DRIYTHQSDV
683

WSFGVLLWEI
693
FTLGGSPYPG
703
VPVEELFKLL
713
KEGHRMDKPS
723
NCTNELYMMM
733

RDCWHAVPSQ
743
RPTFKQLVED
753
LDRIVALTSN
763
QE
Residue
Distance (Å)
LEU484
3.438
GLY485
3.338
GLU486
4.723
CYS488
1.804
PHE489
3.007
GLN491
4.935
VAL492
3.683
ALA512
3.603
LYS514
3.150
LEU528
4.602
GLU531
3.479
MET535
3.293
Residue
Distance (Å)
ILE545
3.412
VAL559
3.701
VAL561
4.006
GLU562
2.722
TYR563
3.722
ALA564
2.869
SER565
4.924
LEU630
3.748
ILE639
4.585
ALA640
3.551
ASP641
3.198
PHE642
3.544
References  Top
REF 1 TAS-120 Cancer Target Binding: Defining Reactivity and Revealing the First Fibroblast Growth Factor Receptor?1 (FGFR1) Irreversible Structure. ChemMedChem. 2019 Feb 19;14(4):494-500.

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