SEQ2FUN

BioLiP

PDB CCD ID: DCW
Number of entries in BioLiP: 35
Chemical formula: C13 H24 N2 O
InChI: InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
InChIKey: ADFXKUOMJKEIND-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C1CCC(CC1)NC(=O)NC2CCCCC2
ACDLabs 12.01
CACTVS 3.385		O=C(NC1CCCCC1)NC2CCCCC2
Name:DICYCLOHEXYLUREA
ChEMBL: CHEMBL1458
ZINC: ZINC000000157375
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).