BioLiP

PDB

BioLiP

PDB CCD ID:

FLK

Number of entries in BioLiP:

Chemical formula:

C6 H12 Cl N4 O

InChI:

InChI=1S/C6H11ClN4O/c7-2-1-5(12)10-11-6-8-3-4-9-6/h1-4H2,(H,10,12)(H2,8,9,11)/p+1

InChIKey:

KIPZHINDKFZDKZ-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1C[NH+]=C(N1)NNC(=O)CCCl
CACTVS 3.385	ClCCC(=O)NNC1=[NH+]CCN1

Name:

3-chloranyl-~{N}'-(4,5-dihydro-1~{H}-imidazol-3-ium-2-yl)propanehydrazide

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).