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BioLiP

PDB CCD ID: 454
Number of entries in BioLiP: 1
Chemical formula: C18 H18 N4
InChI: InChI=1S/C18H18N4/c19-17-21-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-20-12-7-13-22(16)17/h1-6,8-11H,7,12-13H2,(H2,19,21)
InChIKey: UFWSJOVQEPTPNE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352NC1=NC(c2ccccc2)(c3ccccc3)C4=NCCCN14
ACDLabs 11.02N2=C(N)N1C(=NCCC1)C2(c3ccccc3)c4ccccc4
OpenEye OEToolkits 1.7.0c1ccc(cc1)C2(C3=NCCCN3C(=N2)N)c4ccccc4
Name:8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
ChEMBL: CHEMBL582044
ZINC: ZINC000034657615
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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