SEQ2FUN

BioLiP

PDB CCD ID: 2K9
Number of entries in BioLiP: 24
Chemical formula: C19 H11 N3 O
InChI: InChI=1S/C19H11N3O/c23-19-18-20-9-10-22(18)16-11-15-13(12-5-2-1-3-6-12)7-4-8-14(15)17(16)21-19/h1-11H
InChIKey: SFZNDQGUHVYHPD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1N=C2C(=Cc3c(cccc23)c4ccccc4)n5ccnc15
ACDLabs 12.01O=C4N=C2C(=Cc3c(c1ccccc1)cccc23)n5ccnc45
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5
Name:9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one
ZINC: ZINC000230506472
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).