BioLiP

PDB

BioLiP

PDB CCD ID:

NGQ

Number of entries in BioLiP:

Chemical formula:

C6 H11 N3 O4

InChI:

InChI=1S/C6H11N3O4/c7-6(8)9-3(5(12)13)1-2-4(10)11/h3H,1-2H2,(H,10,11)(H,12,13)(H4,7,8,9)/t3-/m0/s1

InChIKey:

RHVVRMJOHATSPD-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.370	NC(=N)N[C@@H](CCC(O)=O)C(O)=O
ACDLabs 12.01	O=C(O)C(NC(=[N@H])N)CCC(=O)O
OpenEye OEToolkits 1.7.0	[H]/N=C(\N)/N[C@@H](CCC(=O)O)C(=O)O
CACTVS 3.370	NC(=N)N[CH](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0	C(CC(=O)O)C(C(=O)O)NC(=N)N

Name:

N-carbamimidoyl-L-glutamic acid;
N-Guanidino-L-Glutamate

ChEMBL:

CHEMBL1256283

ZINC:

ZINC000001529598

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).