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BioLiP

PDB CCD ID: NXH
Number of entries in BioLiP: 4
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:
SoftwareSMILES
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, Peter L 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).

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