BioLiP

PDB

BioLiP

PDB CCD ID:

HAR

Number of entries in BioLiP:

Chemical formula:

C6 H14 N4 O3

InChI:

InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1

InChIKey:

FQWRAVYMZULPNK-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CC(C(=O)O)N)CNC(=N)NO
CACTVS 3.341	N[C@@H](CCCNC(=N)NO)C(O)=O
CACTVS 3.341	N[CH](CCCNC(=N)NO)C(O)=O
OpenEye OEToolkits 1.5.0	C(C[C@@H](C(=O)O)N)CNC(=N)NO
ACDLabs 10.04	O=C(O)C(N)CCCNC(=[N@H])NO

Name:

N-OMEGA-HYDROXY-L-ARGININE

ChEMBL:

CHEMBL260629

DrugBank:

DB03144

ZINC:

ZINC000004096974

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).