BioLiP

PDB

BioLiP

PDB CCD ID:

CEC

Number of entries in BioLiP:

Chemical formula:

C3 H6 Cl N O

InChI:

InChI=1/C3H6ClNO/c4-1-2-5-3-6/h3H,1-2H2,(H,5,6)/f/h5H

InChIKey:

BJONJCOFENHEJJ-JSWHHWTPCH

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CCl)NC=O
ACDLabs 10.04 CACTVS 3.341	ClCCNC=O

Name:

CHLOROETHYLCARBAMOYL GROUP

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).