BioLiP

PDB

BioLiP

PDB CCD ID:

W7T

Number of entries in BioLiP:

Chemical formula:

C10 H20 N2 O

InChI:

InChI=1S/C10H20N2O/c11-6-7-12-10(13)8-9-4-2-1-3-5-9/h9H,1-8,11H2,(H,12,13)

InChIKey:

KJMNNPQKALZUCE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(CC1CCCCC1)NCCN
CACTVS 3.385	NCCNC(=O)CC1CCCCC1
OpenEye OEToolkits 2.0.7	C1CCC(CC1)CC(=O)NCCN

Name:

N-(2-aminoethyl)-2-cyclohexylacetamide

ZINC:

ZINC000020251698

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).