BioLiP

PDB

BioLiP

PDB CCD ID:

XF2

Number of entries in BioLiP:

Chemical formula:

C8 H9 Cl N4

InChI:

InChI=1S/C8H9ClN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)/b12-5+

InChIKey:

UYZKWRHTYCCDMP-LFYBBSHMSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=N)NN=Cc1ccc(Cl)cc1
ACDLabs 12.01	Clc1ccc(/C=N/NC(=N)N)cc1
CACTVS 3.385	NC(=N)N/N=C/c1ccc(Cl)cc1
OpenEye OEToolkits 2.0.7	[H]/N=C(/N)\N/N=C/c1ccc(cc1)Cl
OpenEye OEToolkits 2.0.7	c1cc(ccc1C=NNC(=N)N)Cl

Name:

(2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide

ChEMBL:

CHEMBL1179013

ZINC:

ZINC000006092623

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).