BioLiP

PDB

BioLiP

PDB CCD ID:

ZDK

Number of entries in BioLiP:

Chemical formula:

C23 H27 N3 O2

InChI:

InChI=1S/C23H27N3O2/c1-27-17-18-12-14-26(15-13-18)16-21-24-23(25-28-21)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,22H,12-17H2,1H3

InChIKey:

XYPQCOBQQQTCFN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	COCC1CCN(CC1)Cc1nc(no1)C(c1ccccc1)c1ccccc1
OpenEye OEToolkits 2.0.7	COCC1CCN(CC1)Cc2nc(no2)C(c3ccccc3)c4ccccc4
CACTVS 3.385	COCC1CCN(CC1)Cc2onc(n2)C(c3ccccc3)c4ccccc4

Name:

1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine

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).