SEQ2FUN

BioLiP

PDB CCD ID: SV5
Number of entries in BioLiP: 1
Chemical formula: C14 H12 N2 O
InChI: InChI=1S/C14H12N2O/c17-14-12-7-9-16(13(12)6-8-15-14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,17)
InChIKey: VFDCHRWQDACBOK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)Cn2ccc3c2C=CNC3=O
CACTVS 3.385O=C1NC=Cc2n(Cc3ccccc3)ccc12
Name:1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one
ChEMBL: CHEMBL4796728
ZINC: ZINC000014986151
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).