SEQ2FUN

BioLiP

PDB CCD ID: W2B
Number of entries in BioLiP: 1
Chemical formula: C11 H17 N3 O
InChI: InChI=1S/C11H17N3O/c15-11(9-14-8-4-7-12-14)13-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,13,15)
InChIKey: GQNIKYNUDKESIO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnn(c1)CC(=O)NC2CCCCC2
CACTVS 3.385O=C(Cn1cccn1)NC2CCCCC2
ACDLabs 12.01O=C(NC1CCCCC1)Cn1cccn1
Name:N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide
ZINC: ZINC000032491747
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).