SEQ2FUN

BioLiP

PDB CCD ID: A1CL1
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N O3
InChI: InChI=1S/C11H11NO3/c13-10-5-2-6-12(10)9-4-1-3-8(7-9)11(14)15/h1,3-4,7H,2,5-6H2,(H,14,15)
InChIKey: QESXXFDZRITHKE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52O=C(O)c1cccc(c1)N1CCCC1=O
OpenEye OEToolkits 3.1.0.0c1cc(cc(c1)N2CCCC2=O)C(=O)O
CACTVS 3.385OC(=O)c1cccc(c1)N2CCCC2=O
Name:3-(2-oxopyrrolidin-1-yl)benzoic acid
ChEMBL: CHEMBL1569147
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).