2026-10-10_00000115|ligand|43ZY

Crystal structure of FGFR1 with a nucleoside scaffold-based inhibitor LJ5292; X-ray diffraction 1.90Å

Protein #1 304 residues (90% resolved)

Raw Sequence ...

VSEYELPEDPRWELPRDRLVLGKPLGEGCFGQVVLAEAIGLDKDKPNRVTKVAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGNLREYLQARRPPGLEYCYNPSHNPEEQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAARNVLVTEDNVMKIADFGLARDIHHIDYYKKTTNGRLPVKWMAPEALFDRIYTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVALTSN

Canonical Sequence ...

Non polymer #2 A1MIP

InChI=1S/C24H25N5O6/c1-4-18(30)26-10-17-20(31)21(32)24(35-17)29-11-14(19-22(25)27-12-28-23(19)29)6-5-13-7-15(33-2)9-16(8-13)34-3/h4,7-9,11-12,17,20-21,24,31-32H,1,10H2,2-3H3,(H,26,30)(H2,25,27,28)/t17-,20-,21-,24-/m1/s1

InChI=1S/C24H25N5O6/c1-4-18(30)26-10-17-20(31)21(32)24(35-17)29-11-14(19-22(25)27-12-28-23(19)29)6-5-13-7-15(33-2)9-16(8-13)34-3/h4,7-9,11-12,17,20-21,24,31-32H,1,10H2,2-3H3,(H,26,30)(H2,25,27,28)/t17-,20-,21-,24-/m1/s1

SMILES: COc1cc(cc(c1)OC)C#Cc2cn(c3c2c(ncn3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNC(=O)C=C)O)O

COc1cc(cc(c1)OC)C#Cc2cn(c3c2c(ncn3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNC(=O)C=C)O)O

Biounit #1 monomer

Biounit #2 monomer

Reference