SEQ2FUN

BioLiP

PDB CCD ID: NWV
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N3 O2
InChI: InChI=1S/C10H11N3O2/c1-13-7-8(6-12-13)5-11-10(14)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H,11,14)
InChIKey: ZPCCCCZFCHPBOS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cn1cc(cn1)CNC(=O)c2ccco2
CACTVS 3.385Cn1cc(CNC(=O)c2occc2)cn1
ACDLabs 12.01N(Cc1cn(C)nc1)C(=O)c2ccco2
Name:N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
ChEMBL: CHEMBL4582670
ZINC: ZINC000001000907
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).