BioLiP

PDB

BioLiP

PDB CCD ID:

2YJ

Number of entries in BioLiP:

Chemical formula:

C11 H24 N4 O3

InChI:

InChI=1S/C11H24N4O3/c12-6-2-1-4-8(13)10(16)15-7-3-5-9(14)11(17)18/h8-9H,1-7,12-14H2,(H,15,16)(H,17,18)/t8-,9+/m1/s1

InChIKey:

IIZZYHGWMHUAMZ-BDAKNGLRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(CCN)C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N
CACTVS 3.385	NCCCC[CH](N)C(=O)NCCC[CH](N)C(O)=O
CACTVS 3.385	NCCCC[C@@H](N)C(=O)NCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.6	C(CCN)CC(C(=O)NCCCC(C(=O)O)N)N
ACDLabs 12.01	O=C(O)C(N)CCCNC(=O)C(N)CCCCN

Name:

N~5~-D-lysyl-L-ornithine

ZINC:

ZINC000098208353

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).