BioLiP

PDB

BioLiP

PDB CCD ID:

A1EHD

Number of entries in BioLiP:

Chemical formula:

C9 H10 N2 O

InChI:

InChI=1S/C9H10N2O/c1-11-9-5-3-2-4-7(9)8(6-12)10-11/h2-5,12H,6H2,1H3

InChIKey:

KMEYZHACDFMRCW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cn1c2ccccc2c(n1)CO
CACTVS 3.385	Cn1nc(CO)c2ccccc12

Name:

(1-methylindazol-3-yl)methanol

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).