BioLiP

PDB

BioLiP

PDB CCD ID:

BAG

Number of entries in BioLiP:

Chemical formula:

C13 H19 N5 O2

InChI:

InChI=1S/C13H19N5O2/c14-11(19)10(7-4-8-17-13(15)16)18-12(20)9-5-2-1-3-6-9/h1-3,5-6,19H,4,7-8,14H2,(H,18,20)(H4,15,16,17)

InChIKey:

YRINIXCRGISJPA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C(=O)NC(=C(N)O)CCCNC(=N)N
CACTVS 3.341	N\C(O)=C(CCCNC(N)=N)/NC(=O)c1ccccc1
CACTVS 3.341	NC(O)=C(CCCNC(N)=N)NC(=O)c1ccccc1
ACDLabs 10.04	O=C(N/C(=C(/O)N)CCCNC(=[N@H])N)c1ccccc1

Name:

N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-2-HYDROXYVINYL]BENZAMIDE;
BENZOYL-L-ARGININE AMIDE

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).