BioLiP

PDB

BioLiP

PDB CCD ID:

S3M

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O

InChI:

InChI=1S/C11H12N2O/c1-13-11(7-10(8-14)12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3

InChIKey:

ZMDMCKKOZJKHKG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1nc(CO)cc1c2ccccc2
OpenEye OEToolkits 2.0.6	Cn1c(cc(n1)CO)c2ccccc2

Name:

(1-methyl-5-phenyl-pyrazol-3-yl)methanol

ZINC:

ZINC000012370323

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).