SEQ2FUN

BioLiP

PDB CCD ID: F4E
Number of entries in BioLiP: 2
Chemical formula: C8 H7 N O3
InChI: InChI=1S/C8H7NO3/c1-11-8(10)6-4-7-5(9-6)2-3-12-7/h2-4,9H,1H3
InChIKey: LIIJOCBTGRORSY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COC(=O)c1cc2c([nH]1)cco2
CACTVS 3.385COC(=O)c1[nH]c2ccoc2c1
Name:methyl 4~{H}-furo[3,2-b]pyrrole-5-carboxylate
ChEMBL: CHEMBL4247887
ZINC: ZINC000003030560
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).