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BioLiP

PDB CCD ID: CPU
Number of entries in BioLiP: 2
Chemical formula: C16 H24 N2 O
InChI: InChI=1S/C16H24N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H2,17,18,19)
InChIKey: HBTZVNKXMFGOOJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCCNC(=O)NC2CCCCC2
ACDLabs 10.04O=C(NC1CCCCC1)NCCCc2ccccc2
CACTVS 3.341O=C(NCCCc1ccccc1)NC2CCCCC2
Name:N-CYCLOHEXYL-N'-(PROPYL)PHENYL UREA
ChEMBL: CHEMBL1231909
DrugBank: DB04213
ZINC: ZINC000002047156
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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