BioLiP

PDB

BioLiP

PDB CCD ID:

0TF

Number of entries in BioLiP:

Chemical formula:

C11 H24 N4 O3

InChI:

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

InChIKey:

AOOVWOOUTNDWMA-BDAKNGLRSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C(N)CCCCNC(=O)C(N)CCCN
OpenEye OEToolkits 1.7.6	C(CCNC(=O)[C@@H](CCCN)N)C[C@@H](C(=O)O)N
CACTVS 3.370	NCCC[C@@H](N)C(=O)NCCCC[C@H](N)C(O)=O
CACTVS 3.370	NCCC[CH](N)C(=O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6	C(CCNC(=O)C(CCCN)N)CC(C(=O)O)N

Name:

N~6~-D-ornithyl-L-lysine

ZINC:

ZINC000095920521

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).