BioLiP

PDB

BioLiP

PDB CCD ID:

N74

Number of entries in BioLiP:

Chemical formula:

C15 H15 N5 O2

InChI:

InChI=1S/C15H15N5O2/c1-11-7-14(19-22-11)18-15(21)17-13-8-16-20(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,17,18,19,21)

InChIKey:

HPOHLKVNAQMNHB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3ccccc3
CACTVS 3.385	Cc1onc(NC(=O)Nc2cnn(Cc3ccccc3)c2)c1
ACDLabs 12.01	N(c2cnn(Cc1ccccc1)c2)C(Nc3cc(C)on3)=O

Name:

N-(1-benzyl-1H-pyrazol-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)urea

ZINC:

ZINC000056343335

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).