BioLiP

PDB

BioLiP

PDB CCD ID:

V3T

Number of entries in BioLiP:

Chemical formula:

C13 H13 N3 O2

InChI:

InChI=1S/C13H13N3O2/c1-16-7-6-14-12(16)8-15-13(18)11-4-2-10(9-17)3-5-11/h2-7,9H,8H2,1H3,(H,15,18)

InChIKey:

NFZAMDZEFTZCEP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1ccnc1CNC(=O)c2ccc(C=O)cc2
OpenEye OEToolkits 2.0.7	Cn1ccnc1CNC(=O)c2ccc(cc2)C=O

Name:

4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide

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).