SEQ2FUN

FURNA


    View A1EBI at the PDB and FURNA database

PDB CCD ID: A1EBI
Number of entries in FURNA: 4
Chemical formula: C19 H13 F2 N5 O3
InChI: InChI=1S/C19H13F2N5O3/c20-12-4-10(5-13(21)18(12)27)6-15-19(28)26(16(25-15)7-24-29)8-11-2-1-3-14-17(11)23-9-22-14/h1-7,9,27,29H,8H2,(H,22,23)/b15-6-,24-7+
InChIKey: MWUNZPXNBRYTBM-LSGIWYNDSA-N
SMILES: ON=CC1=NC(=Cc2cc(F)c(O)c(F)c2)C(=O)N1Cc3cccc4nc[nH]c34;
c1cc(c2c(c1)nc[nH]2)CN3C(=N/C(=C\c4cc(c(c(c4)F)O)F)/C3=O)/C=N/O;
c1cc(c2c(c1)nc[nH]2)CN3C(=NC(=Cc4cc(c(c(c4)F)O)F)C3=O)C=NO;
O\N=C\C1=NC(=C/c2cc(F)c(O)c(F)c2)\C(=O)N1Cc3cccc4nc[nH]c34
Name:(5Z)-3-(3H-benzimidazol-4-ylmethyl)-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(E)-hydroxyiminomethyl]imidazol-4-one

Reference:
  • Chengxin Zhang, Lydia Freddolino (2024) "FURNA: a database for function annotations of RNA structures," PLOS Biology 22(7): e3002476.