SEQ2FUN

BioLiP

PDB CCD ID: JF9
Number of entries in BioLiP: 1
Chemical formula: C19 H28 N2 O2
InChI: InChI=1S/C19H28N2O2/c22-19(17-13-18(23-20-17)14-11-12-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h13-16H,1-12H2
InChIKey: NDKGACIWVAOUQH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(onc1C(=O)N(C2CCCCC2)C3CCCCC3)C4CC4
CACTVS 3.385O=C(N(C1CCCCC1)C2CCCCC2)c3cc(on3)C4CC4
Name:N,N-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide
ChEMBL: CHEMBL1970071
ZINC: ZINC000020428865
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).