BioLiP

PDB

BioLiP

PDB CCD ID:

XKY

Number of entries in BioLiP:

Chemical formula:

C4 H7 N3

InChI:

InChI=1S/C4H7N3/c5-1-4-2-6-3-7-4/h4,6-7H,2-3H2

InChIKey:

FEQLHIQTBHWUKN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1[C@H](NCN1)C#N
OpenEye OEToolkits 2.0.7	C1C(NCN1)C#N
CACTVS 3.385	N#C[C@@H]1CNCN1
ACDLabs 12.01	N#CC1NCNC1
CACTVS 3.385	N#C[CH]1CNCN1

Name:

(4S)-imidazolidine-4-carbonitrile

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).