BioLiP

PDB

BioLiP

PDB CCD ID:

1FP

Number of entries in BioLiP:

Chemical formula:

C5 H10 N2 O

InChI:

InChI=1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2

InChIKey:

MSSDTZLYNMFTKN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.370	O=CN1CCNCC1
OpenEye OEToolkits 1.7.0	C1CN(CCN1)C=O

Name:

piperazine-1-carbaldehyde

ZINC:

ZINC000000155418

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).