SEQ2FUN

FURNA

PDB CCD ID: SPS
Number of entries in FURNA: 11
Chemical formula: C13 H19 N3 O5 S2
InChI: InChI=1S/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9-,23+/m0/s1
InChIKey: XKLZIVIOZDNKEQ-CLQLPEFOSA-N
SMILES: CSC[S](=O)C[CH](CO)NC(=O)C=CC1=C(C)NC(=O)NC1=O;
O=C1NC(=C(\C=C\C(=O)NC(CS(=O)CSC)CO)C(=O)N1)C;
CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)N[C@@H](CO)C[S@@](=O)CSC;
CSC[S@](=O)C[C@H](CO)NC(=O)/C=C/C1=C(C)NC(=O)NC1=O;
CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CS(=O)CSC
Name:SPARSOMYCIN
ChEMBL: CHEMBL105720
DrugBank: DB04222
ZINC: ZINC000004742520

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