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BioLiP Library

PDB CCD ID: 7GG
Number of entries in BioLiP: 1
Chemical formula: C17 H20 N6
InChI: InChI=1S/C17H20N6/c1-3-23(4-2)11-10-14-15-16(19-12-18-15)22-17(21-14)20-13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H2,18,19,20,21,22)/b11-10-
InChIKey: SHKLUCMYFCYADL-KHPPLWFESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCN(CC)/C=C\c1c2c(nc[nH]2)nc(n1)Nc3ccccc3
OpenEye OEToolkits 2.0.6CCN(CC)C=Cc1c2c(nc[nH]2)nc(n1)Nc3ccccc3
CACTVS 3.385CCN(CC)C=Cc1nc(Nc2ccccc2)nc3nc[nH]c13
CACTVS 3.385CCN(CC)\C=C/c1nc(Nc2ccccc2)nc3nc[nH]c13
Name:6-[(~{Z})-2-(diethylamino)ethenyl]-~{N}-phenyl-7~{H}-purin-2-amine
ZINC: ZINC000584905436
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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