BioLiP

PDB

BioLiP

PDB CCD ID:

P0I

Number of entries in BioLiP:

Chemical formula:

C26 H33 N3 O3

InChI:

InChI=1S/C26H33N3O3/c30-25(22-10-7-13-24(20-22)32-19-14-21-8-3-1-4-9-21)28-15-17-29(18-16-28)26(31)27-23-11-5-2-6-12-23/h2,5-7,10-13,20-21H,1,3-4,8-9,14-19H2,(H,27,31)

InChIKey:

LWLAYULJAJMPKG-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(Nc1ccccc1)N1CCN(CC1)C(=O)c1cccc(OCCC2CCCCC2)c1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3cccc(c3)OCCC4CCCCC4
CACTVS 3.385	O=C(Nc1ccccc1)N2CCN(CC2)C(=O)c3cccc(OCCC4CCCCC4)c3

Name:

4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide

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).