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FURNA


    View A1AEF at the PDB and FURNA database

PDB CCD ID: A1AEF
Number of entries in FURNA: 3
Chemical formula: C27 H23 F N3 O S
InChI: InChI=1S/C27H22FN3OS/c1-30-15-14-19(21-9-3-5-11-23(21)30)16-27-31(24-12-6-7-13-25(24)33-27)18-26(32)29-17-20-8-2-4-10-22(20)28/h2-16H,17-18H2,1H3/p+1
InChIKey: OXVKKJDNZJSEON-UHFFFAOYSA-O
SMILES: CN1C=C\C(=C/c2sc3ccccc3[n+]2CC(=O)NCc4ccccc4F)c5ccccc15;
CN1C=CC(=Cc2[n+](c3ccccc3s2)CC(=O)NCc4ccccc4F)c5c1cccc5;
CN1C=CC(=Cc2sc3ccccc3[n+]2CC(=O)NCc4ccccc4F)c5ccccc15;
Fc1ccccc1CNC(=O)C[n+]1c2ccccc2sc1\C=C1/C=CN(C)c2ccccc21;
CN1C=C/C(=C\c2[n+](c3ccccc3s2)CC(=O)NCc4ccccc4F)/c5c1cccc5
Name:3-(2-{[(2-fluorophenyl)methyl]amino}-2-oxoethyl)-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium;
365A-088
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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