BioLiP

PDB

BioLiP

PDB CCD ID:

5TE

Number of entries in BioLiP:

Chemical formula:

C19 H28 N2 O

InChI:

InChI=1S/C19H28N2O/c22-19(12-11-16-7-2-3-8-16)20-17-9-6-10-18(15-17)21-13-4-1-5-14-21/h6,9-10,15-16H,1-5,7-8,11-14H2,(H,20,22)

InChIKey:

ICGIQDRKVXQXTR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1cc(cc(c1)N2CCCCC2)NC(=O)CCC3CCCC3
CACTVS 3.385	O=C(CCC1CCCC1)Nc2cccc(c2)N3CCCCC3

Name:

3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide

ZINC:

ZINC000065665496

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).