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BioLiP

PDB CCD ID: OKL
Number of entries in BioLiP: 5
Chemical formula: C10 H13 Cl N4 O2
InChI: InChI=1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17)
InChIKey: CGAMDQCXAAOFSR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCN1c2c([nH]c(n2)Cl)C(=O)NC1=O
CACTVS 3.385CCCCCN1C(=O)NC(=O)c2[nH]c(Cl)nc12
Name:8-chloranyl-3-pentyl-7H-purine-2,6-dione
ChEMBL: CHEMBL3730241
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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