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FURNA


    View A1AEC at the PDB and FURNA database

PDB CCD ID: A1AEC
Number of entries in FURNA: 3
Chemical formula: C30 H25 F N5 O S
InChI: InChI=1S/C30H24FN5OS/c1-34-17-14-21(22-8-2-3-10-25(22)34)18-30-35(27-11-4-5-13-28(27)38-30)20-29(37)32-19-23-24(31)9-6-12-26(23)36-16-7-15-33-36/h2-18H,19-20H2,1H3/p+1
InChIKey: WJZSCZPHSLKFLO-UHFFFAOYSA-O
SMILES: CN1C=C/C(=C\c2[n+](c3ccccc3s2)CC(=O)NCc4c(cccc4F)n5cccn5)/c6c1cccc6;
CN1C=CC(=Cc2sc3ccccc3[n+]2CC(=O)NCc4c(F)cccc4n5cccn5)c6ccccc16;
Fc1cccc(n2cccn2)c1CNC(=O)C[n+]1c2ccccc2sc1\C=C1/C=CN(C)c2ccccc21;
CN1C=CC(=Cc2[n+](c3ccccc3s2)CC(=O)NCc4c(cccc4F)n5cccn5)c6c1cccc6;
CN1C=CC(=C\c2sc3ccccc3[n+]2CC(=O)NCc4c(F)cccc4n5cccn5)/c6ccccc16
Name:3-[2-({[(6P)-2-fluoro-6-(1H-pyrazol-1-yl)phenyl]methyl}amino)-2-oxoethyl]-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium;
365A-061
Reference:
  • Chengxin Zhang, P. Lydia Freddolino (2023) FURNA: a database for function annotations of RNA structures, bioRxiv 2023.12.19.572314.

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