SEQ2FUN

BioLiP

PDB CCD ID: 42A
Number of entries in BioLiP: 4
Chemical formula: C8 H5 N3
InChI: InChI=1S/C8H5N3/c9-4-6-5-11-8-7(6)2-1-3-10-8/h1-3,5H,(H,10,11)
InChIKey: MUCWDACENIACBH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N#Cc1c[nH]c2ncccc12
ACDLabs 12.01N#Cc2c1cccnc1nc2
OpenEye OEToolkits 1.9.2c1cc2c(c[nH]c2nc1)C#N
Name:1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
ChEMBL: CHEMBL4075970
ZINC: ZINC000014984912
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).