BioLiP

PDB

BioLiP

PDB CCD ID:

LL3

Number of entries in BioLiP:

Chemical formula:

C19 H19 N3 O2 S

InChI:

InChI=1S/C19H19N3O2S/c23-17(13-14-5-2-1-3-6-14)22-10-8-15(9-11-22)19-20-18(21-24-19)16-7-4-12-25-16/h1-7,12,15H,8-11,13H2

InChIKey:

FNAMKJFTCMWMKP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4
CACTVS 3.370	O=C(Cc1ccccc1)N2CCC(CC2)c3onc(n3)c4sccc4
ACDLabs 12.01	O=C(N3CCC(c1onc(n1)c2sccc2)CC3)Cc4ccccc4

Name:

2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone

ChEMBL:

CHEMBL1773785

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).