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BioLiP

PDB CCD ID: SC9
Number of entries in BioLiP: 1
Chemical formula: C18 H14 F N5
InChI: InChI=1S/C18H14FN5/c19-15-6-2-1-5-14(15)16-12-24-9-8-21-18(24)17(23-16)22-11-13-4-3-7-20-10-13/h1-10,12H,11H2,(H,22,23)
InChIKey: WCNPGRRMPFCHEO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)c2cn3ccnc3c(n2)NCc4cccnc4)F
CACTVS 3.341Fc1ccccc1c2cn3ccnc3c(NCc4cccnc4)n2
ACDLabs 10.04Fc4ccccc4c1nc(c2nccn2c1)NCc3cccnc3
Name:6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
DrugBank: DB08532
ZINC: ZINC000033295983
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)(download the PDF file).
  • 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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