BioLiP

PDB

BioLiP

PDB CCD ID:

H5G

Number of entries in BioLiP:

Chemical formula:

C14 H12 Cl N O2

InChI:

InChI=1S/C14H12ClNO2/c15-11-4-2-5-12(9-11)16-14(18)8-10-3-1-6-13(17)7-10/h1-7,9,17H,8H2,(H,16,18)

InChIKey:

SGQPJUCTSXTRQV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N(C(Cc1cccc(O)c1)=O)c2cccc(c2)Cl
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)O)CC(=O)Nc2cccc(c2)Cl
CACTVS 3.385	Oc1cccc(CC(=O)Nc2cccc(Cl)c2)c1

Name:

N-(3-chlorophenyl)-2-(3-hydroxyphenyl)acetamide

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).