BioLiP

PDB

BioLiP

PDB CCD ID:

BCK

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O

InChI:

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

InChIKey:

ZVGZXURABHDVPS-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OCc2c(c1ccccc1)n(nc2)C
OpenEye OEToolkits 1.7.6	Cn1c(c(cn1)CO)c2ccccc2
CACTVS 3.370	Cn1ncc(CO)c1c2ccccc2

Name:

(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol

ZINC:

ZINC000000159059

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).