SEQ2FUN

BioLiP

PDB CCD ID: L46
Number of entries in BioLiP: 2
Chemical formula: C11 H16 N2 O2
InChI: InChI=1S/C11H16N2O2/c1-5-8-9(7(3)14)6(2)13-10(8)11(15)12-4/h13H,5H2,1-4H3,(H,12,15)
InChIKey: LCSLEHAEHBSCSA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCc1c([nH]c(C)c1C(C)=O)C(=O)NC
ACDLabs 12.01O=C(c1c(c(c(n1)C)C(=O)C)CC)NC
OpenEye OEToolkits 1.7.6CCc1c(c([nH]c1C(=O)NC)C)C(=O)C
Name:4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide
ChEMBL: CHEMBL3785648
ZINC: ZINC000048190740
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).