SEQ2FUN

BioLiP

PDB CCD ID: L0M
Number of entries in BioLiP: 1
Chemical formula: C27 H21 N5 O2
InChI: InChI=1S/C27H21N5O2/c1-18-26-30-25(19-9-3-2-4-10-19)27(31(26)16-15-28-18)29-24(33)17-32-20-11-5-7-13-22(20)34-23-14-8-6-12-21(23)32/h2-16H,17H2,1H3,(H,29,33)
InChIKey: YQDHGEPNDQLBRG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nccn2c(NC(=O)CN3c4ccccc4Oc5ccccc35)c(nc12)c6ccccc6
OpenEye OEToolkits 2.0.7Cc1c2nc(c(n2ccn1)NC(=O)CN3c4ccccc4Oc5c3cccc5)c6ccccc6
ACDLabs 12.01Cc1nccn2c1nc(c2NC(=O)CN4c5ccccc5Oc3c4cccc3)c6ccccc6
Name:N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide

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).