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BioLiP

PDB CCD ID: FDB
Number of entries in BioLiP: 4
Chemical formula: C7 H8 N4 O
InChI: InChI=1S/C7H8N4O/c1-3-2-9-5-4(3)6(12)11-7(8)10-5/h2H,1H3,(H4,8,9,10,11,12)
InChIKey: AYVRAXSWHNOEEQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1c2c(cnc2N=C(N)N1)C
OpenEye OEToolkits 1.7.6Cc1c[nH]c2c1C(=O)NC(=N2)N
CACTVS 3.385Cc1c[nH]c2N=C(N)NC(=O)c12
Name:2-amino-5-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
ChEMBL: CHEMBL3318499
ZINC: ZINC000032203833
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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