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BioLiP

PDB CCD ID: PE0
Number of entries in BioLiP: 22
Chemical formula: C6 H5 N5 O
InChI: InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)
InChIKey: HNXQXTQTPAJEJL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cnc2c(n1)C(=O)NC(=N2)N
CACTVS 3.341NC1=Nc2nccnc2C(=O)N1
ACDLabs 10.04O=C1c2nccnc2N=C(N1)N
Name:PTERINE
ChEMBL: CHEMBL278009
ZINC: ZINC000017819771
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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