SEQ2FUN

BioLiP

PDB CCD ID: 67N
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2 O
InChI: InChI=1S/C8H8N2O/c1-10-5-3-6-2-4-9-7(6)8(10)11/h2-5,9H,1H3
InChIKey: ZLKWLYKVKAVOMD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.4		CN1C=Cc2cc[nH]c2C1=O
ACDLabs 12.01C=1c2c(C(=O)N(C=1)C)ncc2
Name:6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
ChEMBL: CHEMBL4553271
ZINC: ZINC000032297507
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).