2026-10-10_00000113|ligand|43XK

Crystal structure of FGFR1 with a nucleoside scaffold-based inhibitor LJ5111; X-ray diffraction 1.98Å

Protein #1 304 residues (91% resolved)

Raw Sequence ...

VSEYELPEDPRWELPRDRLVLGKPLGEGCFGQVVLAEAIGLDKDKPNRVTKVAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGNLREYLQARRPPGLEYCYNPSHNPEEQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAARNVLVTEDNVMKIADFGLARDIHHIDYYKKTTNGRLPVKWMAPEALFDRIYTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVALTSN

Canonical Sequence ...

Non polymer #2 A1MIN

InChI=1S/C24H25N5O4S2/c1-4-17(30)26-8-16-19(31)20(32)24(35-16)29-9-13(18-22(25)27-10-28-23(18)29)15-7-12-5-11(2)6-14(33-3)21(12)34-15/h4-7,9-10,16,19-20,24,31-32H,1,8H2,2-3H3,(H,26,30)(H2,25,27,28)/t16-,19-,20-,24-/m1/s1

InChI=1S/C24H25N5O4S2/c1-4-17(30)26-8-16-19(31)20(32)24(35-16)29-9-13(18-22(25)27-10-28-23(18)29)15-7-12-5-11(2)6-14(33-3)21(12)34-15/h4-7,9-10,16,19-20,24,31-32H,1,8H2,2-3H3,(H,26,30)(H2,25,27,28)/t16-,19-,20-,24-/m1/s1

SMILES: Cc1cc2cc(sc2c(c1)OC)c3cn(c4c3c(ncn4)N)[C@H]5[C@@H]([C@@H]([C@H](S5)CNC(=O)C=C)O)O

Cc1cc2cc(sc2c(c1)OC)c3cn(c4c3c(ncn4)N)[C@H]5[C@@H]([C@@H]([C@H](S5)CNC(=O)C=C)O)O

Biounit #1 monomer

Biounit #2 monomer

Reference