BioLiP

PDB

BioLiP

PDB CCD ID:

A1EFF

Number of entries in BioLiP:

Chemical formula:

C6 H10 N2 O

InChI:

InChI=1S/C6H10N2O/c1-5-3-6(4-9)8(2)7-5/h3,9H,4H2,1-2H3

InChIKey:

GUJDKMVLHCJODO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(n(n1)C)CO
CACTVS 3.385	Cn1nc(C)cc1CO

Name:

(2,5-dimethylpyrazol-3-yl)methanol;
57012-20-1

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).