BioLiP

PDB

BioLiP

PDB CCD ID:

6B0

Number of entries in BioLiP:

Chemical formula:

C7 H6 Cl2 O

InChI:

InChI=1S/C7H6Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2

InChIKey:

STVBVTWXWZMRPZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	OCc1cccc(Cl)c1Cl
OpenEye OEToolkits 2.0.4	c1cc(c(c(c1)Cl)Cl)CO

Name:

(2,3-dichlorophenyl)methanol

ZINC:

ZINC000000403414

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).