BioLiP

PDB

BioLiP

PDB CCD ID:

WHG

Number of entries in BioLiP:

Chemical formula:

C8 H13 N3 O

InChI:

InChI=1S/C8H13N3O/c1-6-12-10-8(1)7-11-4-2-9-3-5-11/h1,6,9H,2-5,7H2

InChIKey:

VJMTXOUUYNPWLF-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N2CCN(Cc1ccon1)CC2
CACTVS 3.385	C1CN(CCN1)Cc2ccon2
OpenEye OEToolkits 2.0.7	c1conc1CN2CCNCC2

Name:

1-[(1,2-oxazol-3-yl)methyl]piperazine

ZINC:

ZINC000019362177

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).