SEQ2FUN

BioLiP

PDB CCD ID: KAC
Number of entries in BioLiP: 0
Chemical formula: C11 H13 N O3
InChI: InChI=1S/C11H13NO3/c13-10(14)7-4-8-12-11(15)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,15)(H,13,14)
InChIKey: BOZHPKGNNJPZKV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(NCCCC(=O)O)c1ccccc1
OpenEye OEToolkits 1.9.2c1ccc(cc1)C(=O)NCCCC(=O)O
CACTVS 3.385OC(=O)CCCNC(=O)c1ccccc1
Name:4-(benzoylamino)butanoic acid
ChEMBL: CHEMBL122303
ZINC: ZINC000002008743
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).