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BioLiP

PDB CCD ID: PQ0
Number of entries in BioLiP: 11
Chemical formula: C7 H5 N5 O
InChI: InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)
InChIKey: FMKSMYDYKXQYRV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC1=Nc2[nH]cc(C#N)c2C(=O)N1
OpenEye OEToolkits 1.5.0c1c(c2c([nH]1)N=C(NC2=O)N)C#N
ACDLabs 10.04N#Cc1cnc2N=C(NC(=O)c12)N
Name:2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE;
7-DEAZA-7-CYANO-GUANINE
ChEMBL: CHEMBL577120
DrugBank: DB03074
ZINC: ZINC000005973818
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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