BioLiP

PDB

BioLiP

PDB CCD ID:

GVA

Number of entries in BioLiP:

Chemical formula:

C6 H13 N3 O2

InChI:

InChI=1S/C6H13N3O2/c7-6(8)9-4-2-1-3-5(10)11/h1-4H2,(H,10,11)(H4,7,8,9)

InChIKey:

UKUBCVAQGIZRHL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	[H]/N=C(/N)\NCCCCC(=O)O
CACTVS 3.341	NC(=N)NCCCCC(O)=O
OpenEye OEToolkits 1.5.0	[H]N=C(N)NCCCCC(=O)O
ACDLabs 10.04	O=C(O)CCCCNC(=[N@H])N

Name:

5-{[AMINO(IMINO)METHYL]AMINO}PENTANOIC ACID;
5-GUANIDINOVALERIC ACID

ChEMBL:

CHEMBL178889

ZINC:

ZINC000004654884

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).