BioLiP

PDB

BioLiP

PDB CCD ID:

JX7

Number of entries in BioLiP:

Chemical formula:

C6 H11 N3 O3

InChI:

InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)

InChIKey:

ARBHXJXXVVHMET-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	[H]/N=C(/N)\NCCCC(=O)C(=O)O
CACTVS 3.385	NC(=N)NCCCC(=O)C(O)=O
ACDLabs 12.01	O=C(CCCNC(=N)\N)C(O)=O
OpenEye OEToolkits 2.0.6	C(CC(=O)C(=O)O)CNC(=N)N

Name:

5-carbamimidamido-2-oxopentanoic acid

ZINC:

ZINC000001529743

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).