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FURNA


    View A1BC9 at the PDB and FURNA database

PDB CCD ID: A1BC9
Number of entries in FURNA: 1
Chemical formula: C27 H29 N4 O6 S
InChI: InChI=1S/C27H29N4O6S/c1-29(2)17-8-11-20-23(14-17)37-24-15-18(30(3)4)9-12-21(24)25(20)22-13-16(27(33)34)7-10-19(22)26(32)28-38(35,36)31(5)6/h7-15H,1-6H3,(H,28,32)(H,33,34)
InChIKey: WYGUIDZIZZOQBY-UHFFFAOYSA-N
SMILES: CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(=O)N[S](=O)(=O)N(C)C)C(O)=O)=[N](C)C)c1;
CN(C)c1ccc2c(c1)OC3=CC(=[N](C)C)C=CC3=C2c4cc(ccc4C(=O)NS(=O)(=O)N(C)C)C(=O)O
Name:3-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)xanthen-9-yl]-4-(dimethylsulfamoylcarbamoyl)benzoic acid
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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