BioLiP

PDB

BioLiP

PDB CCD ID:

SUG

Number of entries in BioLiP:

Chemical formula:

C10 H18 N4 O5

InChI:

InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m0/s1

InChIKey:

UMOXFSXIFQOWTD-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC(=N)NCCC[CH](NC(=O)CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CNC(=N)N
OpenEye OEToolkits 1.5.0	C(CC(C(=O)O)NC(=O)CCC(=O)O)CNC(=N)N
CACTVS 3.341	NC(=N)NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O
ACDLabs 10.04	O=C(NC(C(=O)O)CCCNC(=[N@H])N)CCC(=O)O

Name:

N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE;
N~2~-SUCCINYLARGININE

DrugBank:

DB02501

ZINC:

ZINC000001529628

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).