BioLiP

PDB

BioLiP

PDB CCD ID:

4FZ

Number of entries in BioLiP:

Chemical formula:

C8 H8 N2 O

InChI:

InChI=1S/C8H8N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-5H,(H3,9,10)

InChIKey:

WMFQLLSIPXELTN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc(ccc1C=O)C(=N)N
CACTVS 3.352	NC(=N)c1ccc(C=O)cc1
OpenEye OEToolkits 1.7.0	[H]/N=C(\c1ccc(cc1)C=O)/N

Name:

4-formylbenzenecarboximidamide;
4-formylbenzimidamide

ZINC:

ZINC000004502579

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).