SEQ2FUN

BioLiP

PDB CCD ID: OIO
Number of entries in BioLiP: 2
Chemical formula: C11 H18 N2 O2
InChI: InChI=1S/C11H18N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-6,8H2,(H,14,15)
InChIKey: OUQGDTNNZRAKIB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352OC(=O)CCCCCCCn1ccnc1
OpenEye OEToolkits 1.7.0c1cn(cn1)CCCCCCCC(=O)O
Name:8-(1H-imidazol-1-yl)octanoic acid
ChEMBL: CHEMBL1191015
ZINC: ZINC000038337192
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).