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BioLiP

PDB CCD ID: N64
Number of entries in BioLiP: 1
Chemical formula: C18 H25 N5 O2
InChI: InChI=1S/C18H25N5O2/c1-15-14-17(21-25-15)20-18(24)19-8-5-9-22-10-12-23(13-11-22)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H2,19,20,21,24)
InChIKey: SQDJJFWPLCTNDD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(CCCN2CCN(c1ccccc1)CC2)C(Nc3cc(C)on3)=O
OpenEye OEToolkits 2.0.6Cc1cc(no1)NC(=O)NCCCN2CCN(CC2)c3ccccc3
CACTVS 3.385Cc1onc(NC(=O)NCCCN2CCN(CC2)c3ccccc3)c1
Name:N-(5-methyl-1,2-oxazol-3-yl)-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea
ZINC: ZINC000048229664
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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