BioLiP

PDB

BioLiP

PDB CCD ID:

NNH

Number of entries in BioLiP:

Chemical formula:

C5 H12 N4 O3

InChI:

InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1

InChIKey:

KOBHCUDVWOTEKO-VKHMYHEASA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(N)CCNC(=[N@H])NO
OpenEye OEToolkits 1.5.0	[H]/N=C(/NCC[C@@H](C(=O)O)N)\NO
CACTVS 3.341	N[CH](CCNC(=N)NO)C(O)=O
OpenEye OEToolkits 1.5.0	[H]N=C(NCCC(C(=O)O)N)NO
CACTVS 3.341	N[C@@H](CCNC(=N)NO)C(O)=O

Name:

NOR-N-OMEGA-HYDROXY-L-ARGININE

ChEMBL:

CHEMBL1234777

DrugBank:

DB02381

ZINC:

ZINC000002244322

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).