BioLiP

PDB

BioLiP

PDB CCD ID:

C67

Number of entries in BioLiP:

Chemical formula:

C9 H18 N4 O4

InChI:

InChI=1S/C9H18N4O4/c10-6(8(16)17)2-1-4-12-9(11)13-5-3-7(14)15/h6H,1-5,10H2,(H,14,15)(H,16,17)(H3,11,12,13)/t6-/m0/s1

InChIKey:

SGNRWCNMYREATQ-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CCCNC(=N)NCCC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6	[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCC(=O)O
CACTVS 3.385	N[C@@H](CCCNC(=N)NCCC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6	C(CC(C(=O)O)N)CNC(=N)NCCC(=O)O
ACDLabs 12.01	NC(C(=O)O)CCCN\C(=N)NCCC(O)=O

Name:

N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine

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).