BioLiP

PDB

BioLiP

PDB CCD ID:

O7W

Number of entries in BioLiP:

Chemical formula:

C25 H28 N4 O2

InChI:

InChI=1S/C25H28N4O2/c1-3-18-8-10-19(11-9-18)17-29(2)25(30)15-14-24-28-27-23(31-24)13-12-20-16-26-22-7-5-4-6-21(20)22/h4-11,16,26H,3,12-15,17H2,1-2H3

InChIKey:

MYWFVOHKFIFWPL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCc1ccc(CN(C)C(=O)CCc2oc(CCc3c[nH]c4ccccc34)nn2)cc1
OpenEye OEToolkits 2.0.7	CCc1ccc(cc1)CN(C)C(=O)CCc2nnc(o2)CCc3c[nH]c4c3cccc4

Name:

~{N}-[(4-ethylphenyl)methyl]-3-[5-[2-(1~{H}-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-~{N}-methyl-propanamide

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).