BioLiP

PDB

BioLiP

PDB CCD ID:

QPV

Number of entries in BioLiP:

Chemical formula:

C21 H23 Cl N2 O2

InChI:

InChI=1S/C21H23ClN2O2/c1-2-13-23-20(26)21(11-4-12-21)16-7-9-18(10-8-16)24-19(25)15-5-3-6-17(22)14-15/h3,5-10,14H,2,4,11-13H2,1H3,(H,23,26)(H,24,25)

InChIKey:

UIZYWUYIFDOVIY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(C3(c1ccc(cc1)NC(c2cccc(c2)Cl)=O)CCC3)(NCCC)=O
OpenEye OEToolkits 2.0.7	CCCNC(=O)C1(CCC1)c2ccc(cc2)NC(=O)c3cccc(c3)Cl
CACTVS 3.385	CCCNC(=O)C1(CCC1)c2ccc(NC(=O)c3cccc(Cl)c3)cc2

Name:

3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide

ChEMBL:

CHEMBL4636709

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).