2026-10-10_00000116|ligand|44AA

Crystal structure of FGFR1 with a nucleoside scaffold-based inhibitor LJ5369; X-ray diffraction 2.37Å

Protein #1 304 residues (91% resolved)

Raw Sequence ...

VSEYELPEDPRWELPRDRLVLGKPLGEGCFGQVVLAEAIGLDKDKPNRVTKVAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGNLREYLQARRPPGLEYCYNPSHNPEEQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAARNVLVTEDNVMKIADFGLARDIHHIDYYKKTTNGRLPVKWMAPEALFDRIYTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVALTSN

Canonical Sequence ...

Non polymer #2 A1MIQ

InChI=1S/C21H21N7O4S/c1-9-3-10-5-14(33-18(10)12(4-9)31-2)11-7-28(20-15(11)19(22)24-8-25-20)21-17(30)16(29)13(32-21)6-26-27-23/h3-5,7-8,13,16-17,21,29-30H,6H2,1-2H3,(H2,22,24,25)/t13-,16-,17-,21-/m1/s1

InChI=1S/C21H21N7O4S/c1-9-3-10-5-14(33-18(10)12(4-9)31-2)11-7-28(20-15(11)19(22)24-8-25-20)21-17(30)16(29)13(32-21)6-26-27-23/h3-5,7-8,13,16-17,21,29-30H,6H2,1-2H3,(H2,22,24,25)/t13-,16-,17-,21-/m1/s1

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

Cc1cc2cc(sc2c(c1)OC)c3cn(c4c3c(ncn4)N)[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O

Biounit #1 monomer

Biounit #2 monomer

Reference