BioLiP

PDB

BioLiP

PDB CCD ID:

2YH

Number of entries in BioLiP:

Chemical formula:

C10 H22 N4 O3

InChI:

InChI=1S/C10H22N4O3/c11-5-1-3-7(12)9(15)14-6-2-4-8(13)10(16)17/h7-8H,1-6,11-13H2,(H,14,15)(H,16,17)/t7-,8+/m1/s1

InChIKey:

MCMLHDBHZRLOED-SFYZADRCSA-N

SMILES:

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

Name:

N~5~-D-ornithyl-L-ornithine

ZINC:

ZINC000098208352

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).