BioLiP

PDB

BioLiP

PDB CCD ID:

I9Z

Number of entries in BioLiP:

Chemical formula:

C22 H21 N3 O

InChI:

InChI=1S/C22H21N3O/c1-16-19(24-22(26-16)18-11-7-4-8-12-18)13-14-21-23-20(15-25(21)2)17-9-5-3-6-10-17/h3-12,15H,13-14H2,1-2H3

InChIKey:

BWZAPJVTJXZJHR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(nc(o1)c2ccccc2)CCc3nc(cn3C)c4ccccc4
CACTVS 3.385	Cn1cc(nc1CCc2nc(oc2C)c3ccccc3)c4ccccc4
ACDLabs 12.01	Cn1cc(nc1CCc1nc(oc1C)c1ccccc1)c1ccccc1

Name:

5-methyl-4-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole

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).