SEQ2FUN

BioLiP

PDB CCD ID: K2M
Number of entries in BioLiP: 10
Chemical formula: C10 H13 N3 O3
InChI: InChI=1S/C10H13N3O3/c11-10(15)13-5-3-12(4-6-13)9(14)8-2-1-7-16-8/h1-2,7H,3-6H2,(H2,11,15)
InChIKey: TWRIXENNPDTMSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)N1CCN(CC1)C(=O)c2occc2
ACDLabs 12.01N2(CCN(C(=O)c1occc1)CC2)C(N)=O
OpenEye OEToolkits 2.0.6c1cc(oc1)C(=O)N2CCN(CC2)C(=O)N
Name:4-(furan-2-carbonyl)piperazine-1-carboxamide
ChEMBL: CHEMBL1445241
ZINC: ZINC000000234851
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).