SEQ2FUN

FURNA

PDB CCD ID: EPE
Number of entries in FURNA: 90
Chemical formula: C8 H18 N2 O4 S
InChI: InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChIKey: JKMHFZQWWAIEOD-UHFFFAOYSA-N
SMILES: O=S(=O)(O)CCN1CCN(CCO)CC1;
C1CN(CCN1CCO)CCS(=O)(=O)O;
OCCN1CCN(CC1)CC[S](O)(=O)=O
Name:4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID;
HEPES
ChEMBL: CHEMBL1232545
DrugBank: DB16872
ZINC: ZINC000019203136

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