SEQ2FUN

BioLiP

PDB CCD ID: NUA
Number of entries in BioLiP: 9
Chemical formula: C10 H15 N3 O
InChI: InChI=1S/C10H15N3O/c1-2-13-7-9(6-11-13)12-10(14)8-4-3-5-8/h6-8H,2-5H2,1H3,(H,12,14)
InChIKey: UVTFDTBDFQZRHD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCn1cc(cn1)NC(=O)C2CCC2
ACDLabs 12.01n1(CC)ncc(c1)NC(=O)C2CCC2
CACTVS 3.385CCn1cc(NC(=O)C2CCC2)cn1
Name:N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide
ZINC: ZINC000058393661
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).