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BioLiP

PDB CCD ID: ROI
Number of entries in BioLiP: 2
Chemical formula: C8 H11 N5 O2
InChI: InChI=1S/C8H11N5O2/c1-8(2)6(15)10-3-4(13-8)11-7(9)12-5(3)14/h1-2H3,(H,10,15)(H4,9,11,12,13,14)
InChIKey: JMLQSLXEUWNWFI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1(C(=NC2=C(N1)N=C(NC2=O)N)O)C
CACTVS 3.341CC1(C)NC2=C(N=C1O)C(=O)NC(=N2)N
ACDLabs 10.04O=C1C=2N=C(O)C(NC=2N=C(N1)N)(C)C
Name:7,8-DIHYDRO-7,7-DIMETHYL-6-HYDROXYPTERIN
DrugBank: DB02278
ZINC: ZINC000012501824
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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