SEQ2FUN

BioLiP

PDB CCD ID: A1D7W
Number of entries in BioLiP: 1
Chemical formula: C20 H30 N2 O2
InChI: InChI=1S/C20H30N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-24-20(23)17-12-13-18-19(15-17)22-16-21-18/h12-13,15-16H,2-11,14H2,1H3,(H,21,22)
InChIKey: VXKKXAFRWVJMCS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCOC(=O)c1ccc2c(c1)nc[nH]2
CACTVS 3.385CCCCCCCCCCCCOC(=O)c1ccc2[nH]cnc2c1
Name:dodecyl 1H-benzimidazole-5-carboxylate
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).