SEQ2FUN

BioLiP

PDB CCD ID: FCC
Number of entries in BioLiP: 0
Chemical formula: C26 H21 N3 O
InChI: InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2
InChIKey: YEJCDKJIEMIWRQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5ccncc5
OpenEye OEToolkits 2.0.7c1ccc(cc1)N2c3ccccc3C(C2=O)(Cc4ccncc4)Cc5ccncc5
Name:1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one;
Linopirdine
ChEMBL: CHEMBL319111
DrugBank: DB13806
ZINC: ZINC000000537908
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).