BioLiP

PDB

BioLiP

PDB CCD ID:

0X9

Number of entries in BioLiP:

Chemical formula:

C6 H15 N5 O4 S

InChI:

InChI=1S/C6H15N5O4S/c7-6(8)10-3-1-2-4(5(12)13)11-16(9,14)15/h4,11H,1-3H2,(H,12,13)(H4,7,8,10)(H2,9,14,15)/t4-/m0/s1

InChIKey:

PBEOTCYEZLQJNW-BYPYZUCNSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S(=O)(NC(C(=O)O)CCCNC(=[N@H])N)N
OpenEye OEToolkits 1.7.6	C(CC(C(=O)O)NS(=O)(=O)N)CNC(=N)N
CACTVS 3.370	NC(=N)NCCC[CH](N[S](N)(=O)=O)C(O)=O
OpenEye OEToolkits 1.7.6	[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NS(=O)(=O)N
CACTVS 3.370	NC(=N)NCCC[C@H](N[S](N)(=O)=O)C(O)=O

Name:

N~2~-sulfamoyl-L-arginine

ZINC:

ZINC000095920512

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).