BioLiP

PDB

BioLiP

PDB CCD ID:

0QE

Number of entries in BioLiP:

Chemical formula:

C H3 Cl

InChI:

InChI=1S/CH3Cl/c1-2/h1H3

InChIKey:

NEHMKBQYUWJMIP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370 OpenEye OEToolkits 1.7.0	CCl
ACDLabs 12.01	ClC

Name:

chloromethane;
Chloro Methyl group

ChEMBL:

CHEMBL117545

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).