BioLiP

PDB

BioLiP

PDB CCD ID:

LN5

Number of entries in BioLiP:

Chemical formula:

C8 H17 N3 O2

InChI:

InChI=1S/C8H17N3O2/c1-2-7(10)11-5-3-4-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1

InChIKey:

ZYIBCZWVLDODOL-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	[H]N=C(CC)NCCCC(C(=O)O)N
CACTVS 3.341	CCC(=N)NCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0	[H]/N=C(/CC)\NCCC[C@@H](C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CCCNC(=[N@H])CC
CACTVS 3.341	CCC(=N)NCCC[CH](N)C(O)=O

Name:

N5-(1-iminopropyl)-L-ornithine;
(2S)-2-azanyl-5-(propanimidoylamino)pentanoic acid

ChEMBL:

CHEMBL507472

ZINC:

ZINC000040380536

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).