SEQ2FUN

BioLiP

PDB CCD ID: LC4
Number of entries in BioLiP: 2
Chemical formula: C15 H26 N2 O2
InChI: InChI=1S/C15H26N2O2/c18-15(19)10-8-6-4-2-1-3-5-7-9-12-17-13-11-16-14-17/h11,13-14H,1-10,12H2,(H,18,19)
InChIKey: XMSOPSLXOAQSRQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352OC(=O)CCCCCCCCCCCn1ccnc1
OpenEye OEToolkits 1.7.0c1cn(cn1)CCCCCCCCCCCC(=O)O
Name:12-(1H-imidazol-1-yl)dodecanoic acid
ZINC: ZINC000039296097
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).