BioLiP

PDB

BioLiP

PDB CCD ID:

1VP

Number of entries in BioLiP:

Chemical formula:

C18 H25 N3 O5

InChI:

InChI=1S/C18H25N3O5/c1-13(22)19-10-6-5-9-15(18(25)26)21-17(24)12-20-16(23)11-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,19,22)(H,20,23)(H,21,24)(H,25,26)/t15-/m0/s1

InChIKey:

VCECDMBCQWWZKG-HNNXBMFYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)NCCCC[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.6	CC(=O)NCCCCC(C(=O)O)NC(=O)CNC(=O)Cc1ccccc1
OpenEye OEToolkits 1.7.6	CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc1ccccc1
ACDLabs 12.01	O=C(NCC(=O)NC(C(=O)O)CCCCNC(=O)C)Cc1ccccc1
CACTVS 3.385	CC(=O)NCCCC[CH](NC(=O)CNC(=O)Cc1ccccc1)C(O)=O

Name:

N-(phenylacetyl)glycyl-N~6~-acetyl-L-lysine

ZINC:

ZINC000095920959

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).