SEQ2FUN

BioLiP

PDB CCD ID: FLE
Number of entries in BioLiP: 2
Chemical formula: C11 H15 N O4
InChI: InChI=1S/C11H15NO4/c1-7(2)6-8(11(14)15)12-10(13)9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKey: LXBURZIESWDWIV-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)C[C@@H](C(=O)O)NC(=O)c1ccco1
CACTVS 3.370CC(C)C[CH](NC(=O)c1occc1)C(O)=O
CACTVS 3.370CC(C)C[C@H](NC(=O)c1occc1)C(O)=O
ACDLabs 12.01O=C(NC(C(=O)O)CC(C)C)c1occc1
OpenEye OEToolkits 1.7.0CC(C)CC(C(=O)O)NC(=O)c1ccco1
Name:FUROYL-LEUCINE
DrugBank: DB02215
ZINC: ZINC000000260476
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).