BioLiP

PDB

BioLiP

PDB CCD ID:

B74

Number of entries in BioLiP:

Chemical formula:

C8 H10 O

InChI:

InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3

InChIKey:

JJCKHVUTVOPLBV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cccc(CO)c1
ACDLabs 12.01	C(O)c1cc(ccc1)C
OpenEye OEToolkits 2.0.6	Cc1cccc(c1)CO

Name:

(3-methylphenyl)methanol

ZINC:

ZINC000000896729

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).