BioLiP

PDB

BioLiP

PDB CCD ID:

NLN

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O

InChI:

InChI=1S/C6H14N2O/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H2,8,9)/t5-/m0/s1

InChIKey:

YTIHIRCOUAPRCS-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCCC[CH](N)C(N)=O
OpenEye OEToolkits 1.5.0	CCCCC(C(=O)N)N
OpenEye OEToolkits 1.5.0	CCCC[C@@H](C(=O)N)N
CACTVS 3.341	CCCC[C@H](N)C(N)=O
ACDLabs 10.04	O=C(N)C(N)CCCC

Name:

NORLEUCINE AMIDE;
2-AMINO-HEXANOIC ACID AMIDE

ZINC:

ZINC000003606176

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).