BioLiP

PDB

BioLiP

PDB CCD ID:

NUO

Number of entries in BioLiP:

Chemical formula:

C19 H26 Cl N3 O2

InChI:

InChI=1S/C19H26ClN3O2/c20-13-17(24)21-14-15-7-11-23(12-8-15)18(25)19(9-4-10-19)22-16-5-2-1-3-6-16/h1-3,5-6,15,22H,4,7-14H2,(H,21,24)

InChIKey:

FTHNPKJZIJMFGT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCC2)Nc3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)NC2(CCC2)C(=O)N3CCC(CC3)CNC(=O)CCl

Name:

2-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide

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).