BioLiP

PDB

BioLiP

PDB CCD ID:

O2D

Number of entries in BioLiP:

Chemical formula:

C10 H16 N4 O

InChI:

InChI=1S/C10H16N4O/c15-10(13-14-7-11-12-8-14)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,13,15)

InChIKey:

AOBWCUAFPHIXSM-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N(C(CC1CCCCC1)=O)n2cnnc2
OpenEye OEToolkits 2.0.6	c1nncn1NC(=O)CC2CCCCC2
CACTVS 3.385	O=C(CC1CCCCC1)Nn2cnnc2

Name:

2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide

ZINC:

ZINC000000859043

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).