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BioLiP

PDB CCD ID: V9B
Number of entries in BioLiP: 1
Chemical formula: C9 H12 N2 O2
InChI: InChI=1S/C9H12N2O2/c1-3-8(12)6-4-7(11-5-6)9(13)10-2/h4-5,11H,3H2,1-2H3,(H,10,13)
InChIKey: CWMKCPQGJKUMBN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(=O)c1cc([nH]c1)C(=O)NC
CACTVS 3.385CCC(=O)c1c[nH]c(c1)C(=O)NC
Name:N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide;
N-methyl-4-propionyl-1H-pyrrole-2-carboxamide;
1481809
ChEMBL: CHEMBL4873541
ZINC: ZINC000001394991
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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