BioLiP

PDB

BioLiP

PDB CCD ID:

W17

Number of entries in BioLiP:

Chemical formula:

C6 H9 N3 O2

InChI:

InChI=1S/C6H9N3O2/c7-6(11)5-3-8-9(4-5)1-2-10/h3-4,10H,1-2H2,(H2,7,11)

InChIKey:

LHYHSUSQLBMWFV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)c1cnn(CCO)c1
ACDLabs 12.01	n1n(cc(C(=O)N)c1)CCO
OpenEye OEToolkits 2.0.7	c1c(cn(n1)CCO)C(=O)N

Name:

1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide

ZINC:

ZINC000306963371

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).