BioLiP

PDB

BioLiP

PDB CCD ID:

UV7

Number of entries in BioLiP:

Chemical formula:

C6 H9 N3 O

InChI:

InChI=1S/C6H9N3O/c1-5(10)7-2-6-3-8-9-4-6/h3-4H,2H2,1H3,(H,7,10)(H,8,9)

InChIKey:

VFAFDDVJGKOBTH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=O)NCc1c[nH]nc1
ACDLabs 12.01	n1cc(cn1)CNC(C)=O

Name:

N-[(1H-pyrazol-4-yl)methyl]acetamide

ZINC:

ZINC000037987327

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).