BioLiP

PDB

BioLiP

PDB CCD ID:

UBQ

Number of entries in BioLiP:

Chemical formula:

C18 H36 N2 O

InChI:

InChI=1S/C18H36N2O/c1-3-4-5-6-7-8-9-10-11-14-19-18(21)20-15-12-17(2)13-16-20/h17H,3-16H2,1-2H3,(H,19,21)/p+1

InChIKey:

SYMUTLCUVXEJOU-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCCCCNC(=O)[N+]1CCC(C)CC1
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCNC(=O)[N+]1CCC(CC1)C

Name:

4-methyl-~{N}-undecyl-pyridine-1-carboxamide

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).