SEQ2FUN

BioLiP

PDB CCD ID: PML
Number of entries in BioLiP: 11
Chemical formula: C7 H12 O4
InChI: InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
InChIKey: WLJVNTCWHIRURA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)CCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCCC(=O)O
OpenEye OEToolkits 1.5.0C(CCC(=O)O)CCC(=O)O
Name:PIMELIC ACID
ChEMBL: CHEMBL1235351
DrugBank: DB01856
ZINC: ZINC000001529489
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).