BioLiP

PDB

BioLiP

PDB CCD ID:

N07

Number of entries in BioLiP:

Chemical formula:

C21 H21 N3 O2

InChI:

InChI=1S/C21H21N3O2/c1-15-22-23-20(26-15)18-9-5-7-16(13-18)17-8-6-10-19(14-17)21(25)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3

InChIKey:

IKHAJTCUSZHKAO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1oc(nn1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4
ACDLabs 12.01 OpenEye OEToolkits 2.0.7	Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4

Name:

[3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone

ZINC:

ZINC000096132694

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).