BioLiP

PDB

BioLiP

PDB CCD ID:

6K8

Number of entries in BioLiP:

Chemical formula:

C15 H21 N5 O4

InChI:

InChI=1S/C15H21N5O4/c16-15(17)18-8-4-7-11(14(23)24)20-12(21)9-19-13(22)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,19,22)(H,20,21)(H,23,24)(H4,16,17,18)/t11-/m0/s1

InChIKey:

GFLCPYUSPYXNBV-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=N)NCCC[C@H](NC(=O)CNC(=O)c1ccccc1)C(O)=O
CACTVS 3.385	NC(=N)NCCC[CH](NC(=O)CNC(=O)c1ccccc1)C(O)=O
ACDLabs 12.01	N/C(NCCCC(NC(=O)CNC(c1ccccc1)=O)C(O)=O)=N
OpenEye OEToolkits 2.0.4	[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)CNC(=O)c1ccccc1
OpenEye OEToolkits 2.0.4	c1ccc(cc1)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)O

Name:

N-(benzenecarbonyl)glycyl-L-arginine

ZINC:

ZINC000002516109

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).