BioLiP

PDB

BioLiP

PDB CCD ID:

NMM

Number of entries in BioLiP:

Chemical formula:

C7 H16 N4 O2

InChI:

InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1

InChIKey:

NTNWOCRCBQPEKQ-YFKPBYRVSA-N

SMILES:

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

Name:

(2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid;
L-NMMA

ChEMBL:

CHEMBL256147

DrugBank:

DB11815

ZINC:

ZINC000001529776

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).