SEQ2FUN

BioLiP

PDB CCD ID: 37D
Number of entries in BioLiP: 2
Chemical formula: C10 H10 N2 O3
InChI: InChI=1S/C10H10N2O3/c1-6-8(10(13)14-2)9(12-11-6)7-4-3-5-15-7/h3-5H,1-2H3,(H,11,12)
InChIKey: QIPOGDVPLFLWHT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(OC)c2c(nnc2c1occc1)C
OpenEye OEToolkits 1.5.0Cc1c(c([nH]n1)c2ccco2)C(=O)OC
CACTVS 3.341COC(=O)c1c(C)n[nH]c1c2occc2
Name:methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate
ChEMBL: CHEMBL1230058
ZINC: ZINC000000118547
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).