BioLiP

PDB

BioLiP

PDB CCD ID:

NXH

Number of entries in BioLiP:

Chemical formula:

C9 H13 N3 O

InChI:

InChI=1S/C9H13N3O/c1-7(2)11-9(13)12-8-3-5-10-6-4-8/h3-7H,1-2H3,(H2,10,11,12,13)

InChIKey:

JBFXVNVPMKLJIS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(C)NC(=O)Nc1ccncc1

Name:

1-propan-2-yl-3-pyridin-4-yl-urea

ChEMBL:

CHEMBL274957

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).