SEQ2FUN

BioLiP

PDB CCD ID: CDU
Number of entries in BioLiP: 2
Chemical formula: C17 H34 N2 O
InChI: InChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-12-15-18-17(20)19-16-13-10-9-11-14-16/h16H,2-15H2,1H3,(H2,18,19,20)
InChIKey: LPXYBLIRYGCMPQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCNC(=O)NC1CCCCC1
ACDLabs 10.04O=C(NC1CCCCC1)NCCCCCCCCCC
Name:N-CYCLOHEXYL-N'-DECYLUREA
ChEMBL: CHEMBL67158
DrugBank: DB03677
ZINC: ZINC000014880861
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).