BioLiP

PDB

BioLiP

PDB CCD ID:

IV4

Number of entries in BioLiP:

Chemical formula:

C24 H21 N5 O2

InChI:

InChI=1S/C24H21N5O2/c1-18-21(26-23(31-18)19-8-4-2-5-9-19)13-15-27-16-17-28(24(27)30)22-12-14-25-29(22)20-10-6-3-7-11-20/h2-12,14,16-17H,13,15H2,1H3

InChIKey:

NFOFESUVPDPSTC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1N(C=CN1CCc1nc(oc1C)c1ccccc1)c1ccnn1c1ccccc1
CACTVS 3.385	Cc1oc(nc1CCN2C=CN(C2=O)c3ccnn3c4ccccc4)c5ccccc5
OpenEye OEToolkits 2.0.7	Cc1c(nc(o1)c2ccccc2)CCN3C=CN(C3=O)c4ccnn4c5ccccc5

Name:

1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(1-phenyl-1H-pyrazol-5-yl)-1,3-dihydro-2H-imidazol-2-one

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).