BioLiP

PDB

BioLiP

PDB CCD ID:

1KJ

Number of entries in BioLiP:

Chemical formula:

C7 H16 N4 O3

InChI:

InChI=1S/C7H16N4O3/c1-14-11-7(9)10-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1

InChIKey:

FRTXFDDNHUEGNE-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOC
CACTVS 3.370	CONC(=N)NCCC[C@H](N)C(O)=O
CACTVS 3.370	CONC(=N)NCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6	CONC(=N)NCCCC(C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)CCCNC(=[N@H])NOC

Name:

N~5~-(N-methoxycarbamimidoyl)-L-ornithine

ChEMBL:

CHEMBL444710

ZINC:

ZINC000036459648

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).