BioLiP

PDB

BioLiP

PDB CCD ID:

JNR

Number of entries in BioLiP:

Chemical formula:

C13 H18 N4 O3

InChI:

InChI=1S/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)/t10-/m1/s1

InChIKey:

RSYYQCDERUOEFI-SNVBAGLBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	[H]/N=C(\N)/NCCC[C@H](C(=O)O)NC(=O)c1ccccc1
CACTVS 3.385	NC(=N)NCCC[CH](NC(=O)c1ccccc1)C(O)=O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=O)NC(CCCNC(=N)N)C(=O)O
CACTVS 3.385	NC(=N)NCCC[C@@H](NC(=O)c1ccccc1)C(O)=O

Name:

(2~{R})-2-benzamido-5-carbamimidamido-pentanoic acid

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).