BioLiP

PDB

BioLiP

PDB CCD ID:

KQY

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O

InChI:

InChI=1S/C6H14N2O/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H2,8,9)

InChIKey:

ZLHYDRXTDZFRDZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(CCC(=O)N)CCN
ACDLabs 12.01	O=C(CCCCCN)N
CACTVS 3.385	NCCCCCC(N)=O

Name:

6-aminohexanamide

ZINC:

ZINC000001706703

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).