SEQ2FUN

BioLiP

PDB CCD ID: 7MW
Number of entries in BioLiP: 2
Chemical formula: C9 H11 N O3
InChI: InChI=1S/C9H11NO3/c1-3-8(11)6-4-7(10-5-6)9(12)13-2/h4-5,10H,3H2,1-2H3
InChIKey: GMDIDIYLWBUNEW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCC(=O)c1c[nH]c(c1)C(=O)OC
OpenEye OEToolkits 2.0.6CCC(=O)c1cc([nH]c1)C(=O)OC
Name:methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
ChEMBL: CHEMBL4171398
ZINC: ZINC000032911325
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).