SEQ2FUN

BioLiP

PDB CCD ID: GOE
Number of entries in BioLiP: 2
Chemical formula: C10 H15 N3 O
InChI: InChI=1S/C10H15N3O/c1-3-7-11-10(14)13-9-6-4-5-8(2)12-9/h4-6H,3,7H2,1-2H3,(H2,11,12,13,14)
InChIKey: AVNDEIYLNKRJSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCNC(=O)Nc1cccc(n1)C
CACTVS 3.385CCCNC(=O)Nc1cccc(C)n1
Name:1-(6-methylpyridin-2-yl)-3-propyl-urea
ChEMBL: CHEMBL4440058
ZINC: ZINC000006715532
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).