BioLiP

PDB

BioLiP

PDB CCD ID:

C4G

Number of entries in BioLiP:

Chemical formula:

C9 H21 N5 O2

InChI:

InChI=1S/C9H21N5O2/c10-4-2-6-14-9(12)13-5-1-3-7(11)8(15)16/h7H,1-6,10-11H2,(H,15,16)(H3,12,13,14)/t7-/m0/s1

InChIKey:

SXJFFTCQBXWXAY-ZETCQYMHSA-N

SMILES:

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

Name:

N~5~-[N-(3-aminopropyl)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).