BioLiP

PDB

BioLiP

PDB CCD ID:

VSX

Number of entries in BioLiP:

Chemical formula:

C8 H9 Cl N2 O

InChI:

InChI=1S/C8H9ClN2O/c1-5(12)11-8-4-6(9)2-3-7(8)10/h2-4H,10H2,1H3,(H,11,12)

InChIKey:

IYTMUKDCYMGZDQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Nc1ccc(Cl)cc1NC(C)=O
CACTVS 3.385	CC(=O)Nc1cc(Cl)ccc1N
OpenEye OEToolkits 2.0.7	CC(=O)Nc1cc(ccc1N)Cl

Name:

N-(2-amino-5-chlorophenyl)acetamide

ZINC:

ZINC000022141924

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).