BioLiP

PDB

BioLiP

PDB CCD ID:

8V4

Number of entries in BioLiP:

Chemical formula:

C10 H11 N3 O2

InChI:

InChI=1S/C10H11N3O2/c1-2-13-6-9(5-11-13)12-10(14)8-3-4-15-7-8/h3-7H,2H2,1H3,(H,12,14)

InChIKey:

ILHOJKHFOLVBOJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCn1cc(NC(=O)c2cocc2)cn1
OpenEye OEToolkits 2.0.6	CCn1cc(cn1)NC(=O)c2ccoc2
ACDLabs 12.01	n1(CC)cc(cn1)NC(=O)c2ccoc2

Name:

N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide

ZINC:

ZINC000065477778

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).