BioLiP

PDB

BioLiP

PDB CCD ID:

AS1

Number of entries in BioLiP:

Chemical formula:

C10 H18 N4 O6

InChI:

InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1

InChIKey:

KDZOASGQNOPSCU-WDSKDSINSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CCCN=C(N)N[CH](CC(O)=O)C(O)=O)C(O)=O
CACTVS 3.385	N[C@@H](CCCN=C(N)N[C@@H](CC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	C(C[C@@H](C(=O)O)N)C/N=C(\N)/N[C@@H](CC(=O)O)C(=O)O
OpenEye OEToolkits 2.0.7	C(CC(C(=O)O)N)CN=C(N)NC(CC(=O)O)C(=O)O

Name:

ARGININOSUCCINATE

DrugBank:

DB02267

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).