BioLiP

PDB

BioLiP

PDB CCD ID:

UIV

Number of entries in BioLiP:

Chemical formula:

C13 H21 N3 O

InChI:

InChI=1S/C13H21N3O/c1-15(9-11-8-14-16(2)10-11)13(17)12-6-4-3-5-7-12/h8,10,12H,3-7,9H2,1-2H3

InChIKey:

QLYNJXNZOYZGAX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cn1cc(cn1)CN(C)C(=O)C2CCCCC2
CACTVS 3.385	Cn1cc(CN(C)C(=O)C2CCCCC2)cn1

Name:

~{N}-methyl-~{N}-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide

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).