BioLiP

PDB

BioLiP

PDB CCD ID:

7SL

Number of entries in BioLiP:

Chemical formula:

C9 H9 N3 O2

InChI:

InChI=1S/C9H9N3O2/c1-10-9(13)7-5-6(11-12-7)8-3-2-4-14-8/h2-5H,1H3,(H,10,13)(H,11,12)

InChIKey:

SBQQLWWZMIGHJH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CNC(=O)c1cc([nH]n1)c2ccco2
CACTVS 3.385	CNC(=O)c1cc([nH]n1)c2occc2

Name:

5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide;
5-(Furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide

ZINC:

ZINC000032779900

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).