SEQ2FUN

BioLiP

PDB CCD ID: 8CC
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N3 O
InChI: InChI=1S/C11H11N3O/c1-12-11(15)10-6-9(7-14-10)8-2-4-13-5-3-8/h2-7,14H,1H3,(H,12,15)
InChIKey: CUQAMHMOOUOTLK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNC(=O)c1[nH]cc(c1)c2ccncc2
OpenEye OEToolkits 2.0.6CNC(=O)c1cc(c[nH]1)c2ccncc2
Name:N-methyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide
ChEMBL: CHEMBL4104570
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).