SEQ2FUN

BioLiP

PDB CCD ID: VZY
Number of entries in BioLiP: 3
Chemical formula: C10 H11 N O3
InChI: InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChIKey: YKAKNMHEIJUKEX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1c(cc(cc1)C)C(NCC(O)=O)=O
OpenEye OEToolkits 2.0.7Cc1cccc(c1)C(=O)NCC(=O)O
CACTVS 3.385Cc1cccc(c1)C(=O)NCC(O)=O
Name:N-(3-methylbenzene-1-carbonyl)glycine
ChEMBL: CHEMBL456202
ZINC: ZINC000000083665
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).