BioLiP

PDB

BioLiP

PDB CCD ID:

IEL

Number of entries in BioLiP:

Chemical formula:

C8 H17 N3 O2

InChI:

InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1

InChIKey:

ONYFNWIHJBLQKE-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	[H]N=C(C)NCCCCC(C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CCCCNC(=[N@H])C
OpenEye OEToolkits 1.5.0	[H]/N=C(/C)\NCCCC[C@@H](C(=O)O)N
CACTVS 3.341	CC(=N)NCCCC[CH](N)C(O)=O
CACTVS 3.341	CC(=N)NCCCC[C@H](N)C(O)=O

Name:

N~6~-[(1Z)-ethanimidoyl]-L-lysine

ChEMBL:

CHEMBL7889

ZINC:

ZINC000001886326

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).