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BioLiP

PDB CCD ID: 9Z5
Number of entries in BioLiP: 1
Chemical formula: C25 H21 N3 O2
InChI: InChI=1S/C25H21N3O2/c1-29-25-22(16-20-13-8-14-30-20)27-24-21(15-18-9-4-2-5-10-18)26-23(17-28(24)25)19-11-6-3-7-12-19/h2-14,17H,15-16H2,1H3
InChIKey: LZSJDIJDPXKCTH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01COc1c(nc2c(Cc3ccccc3)nc(cn21)c1ccccc1)Cc1ccco1
CACTVS 3.385COc1n2cc(nc(Cc3ccccc3)c2nc1Cc4occc4)c5ccccc5
OpenEye OEToolkits 2.0.7COc1c(nc2n1cc(nc2Cc3ccccc3)c4ccccc4)Cc5ccco5
Name:(4S)-8-benzyl-2-[(furan-2-yl)methyl]-3-methoxy-6-phenylimidazo[1,2-a]pyrazine
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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