BioLiP

PDB

BioLiP

PDB CCD ID:

V8E

Number of entries in BioLiP:

Chemical formula:

C10 H18 N2 O3

InChI:

InChI=1S/C10H18N2O3/c1-2-3-9(13)12-6-4-11(5-7-12)8-10(14)15/h2-8H2,1H3,(H,14,15)

InChIKey:

ACTLPSBNONXRJG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCC(=O)N1CCN(CC1)CC(=O)O
CACTVS 3.385	CCCC(=O)N1CCN(CC1)CC(O)=O
ACDLabs 12.01	OC(=O)CN1CCN(CC1)C(=O)CCC

Name:

(4-butanoylpiperazin-1-yl)acetic acid

ZINC:

ZINC000020180508

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).