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BioLiP Library

PDB CCD ID: OAW
Number of entries in BioLiP: 1
Chemical formula: C13 H15 N7 O
InChI: InChI=1S/C13H15N7O/c1-6(2)20-11-9(7(3)17-13(14)19-11)18-10(12(20)21)8-4-15-16-5-8/h4-6H,1-3H3,(H,15,16)(H2,14,17,19)
InChIKey: YIFGKPFEGAUADP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cc1c2c(nc(n1)N)N(C(=O)C(=N2)c3c[nH]nc3)C(C)C
CACTVS 3.370CC(C)N1C(=O)C(=Nc2c(C)nc(N)nc12)c3c[nH]nc3
ACDLabs 12.01O=C2C(=Nc1c(nc(nc1C)N)N2C(C)C)c3cnnc3
Name:2-amino-4-methyl-8-(1-methylethyl)-6-(1H-pyrazol-4-yl)pteridin-7(8H)-one
ChEMBL: CHEMBL1234917
ZINC: ZINC000058638466
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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