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FURNA

PDB CCD ID: 7MB
Number of entries in FURNA: 2
Chemical formula: C12 H13 Br N4 O3
InChI: InChI=1S/C12H13BrN4O3/c1-16-11(19)15-9-8-6(4-12(9,16)20)17-5(10(18)14-8)2-3-7(17)13/h2-3,6,8-9,20H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,9+,12+/m1/s1
InChIKey: MPASKXAEPUAMBS-WJOUQXRDSA-N
SMILES: CN1C(=O)NC2C1(CC3C2NC(=O)c4n3c(cc4)Br)O;
CN1C(=O)N[C@@H]2[C@]1(C[C@@H]3[C@H]2NC(=O)c4n3c(cc4)Br)O;
CN1C(=O)N[CH]2[CH]3NC(=O)c4ccc(Br)n4[CH]3C[C]12O;
CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4ccc(Br)n4[C@@H]3C[C@@]12O
Name:Agelastatin A
ChEMBL: CHEMBL1096256
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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