BioLiP

PDB

BioLiP

PDB CCD ID:

2W2

Number of entries in BioLiP:

Chemical formula:

C11 H20 N4 O6

InChI:

InChI=1S/C11H20N4O6/c12-11(13)14-5-1-2-6(9(18)19)15-7(10(20)21)3-4-8(16)17/h6-7,15H,1-5H2,(H,16,17)(H,18,19)(H,20,21)(H4,12,13,14)/t6-,7+/m0/s1

InChIKey:

LMKYZBGVKHTLTN-NKWVEPMBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=N)NCCC[CH](N[CH](CCC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6	[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N[C@H](CCC(=O)O)C(=O)O
ACDLabs 12.01	O=C(O)C(NC(C(=O)O)CCC(=O)O)CCCNC(=[N@H])N
CACTVS 3.385	NC(=N)NCCC[C@H](N[C@H](CCC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6	C(CC(C(=O)O)NC(CCC(=O)O)C(=O)O)CNC(=N)N

Name:

N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid;
Nopaline

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).