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BioLiP

PDB CCD ID: EWL
Number of entries in BioLiP: 4
Chemical formula: C16 H19 N5 O2
InChI: InChI=1S/C16H19N5O2/c1-2-3-9-23-15-19-13(17)12-14(20-15)21(16(22)18-12)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,18,22)(H2,17,19,20)
InChIKey: HEKGNUXGYUZNHH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N
CACTVS 3.385CCCCOc1nc(N)c2NC(=O)N(Cc3ccccc3)c2n1
Name:6-azanyl-2-butoxy-9-(phenylmethyl)-7H-purin-8-one
ChEMBL: CHEMBL150961
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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