2026-10-10_00000117|ligand|44AC

Crystal structure of FGFR1 with a nucleoside scaffold-based inhibitor LJ5438; X-ray diffraction 1.97Å

Protein #1 304 residues (91% resolved)

Raw Sequence ...

VSEYELPEDPRWELPRDRLVLGKPLGEGCFGQVVLAEAIGLDKDKPNRVTKVAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGNLREYLQARRPPGLEYCYNPSHNPEEQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAARNVLVTEDNVMKIADFGLARDIHHIDYYKKTTNGRLPVKWMAPEALFDRIYTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVALTSN

Canonical Sequence ...

Non polymer #2 A1MIR

InChI=1S/C24H24FN5O5S/c1-10-4-12-6-16(36-20(12)14(5-10)34-3)13-8-30(22-17(13)21(26)28-9-29-22)24-19(32)18(31)15(35-24)7-27-23(33)11(2)25/h4-6,8-9,15,18-19,24,31-32H,2,7H2,1,3H3,(H,27,33)(H2,26,28,29)/t15-,18-,19-,24-/m1/s1

InChI=1S/C24H24FN5O5S/c1-10-4-12-6-16(36-20(12)14(5-10)34-3)13-8-30(22-17(13)21(26)28-9-29-22)24-19(32)18(31)15(35-24)7-27-23(33)11(2)25/h4-6,8-9,15,18-19,24,31-32H,2,7H2,1,3H3,(H,27,33)(H2,26,28,29)/t15-,18-,19-,24-/m1/s1

SMILES: Cc1cc2cc(sc2c(c1)OC)c3cn(c4c3c(ncn4)N)[C@H]5[C@@H]([C@@H]([C@H](O5)CNC(=O)C(=C)F)O)O

Cc1cc2cc(sc2c(c1)OC)c3cn(c4c3c(ncn4)N)[C@H]5[C@@H]([C@@H]([C@H](O5)CNC(=O)C(=C)F)O)O

Biounit #1 monomer

Biounit #2 monomer

Reference