SEQ2FUN

BioLiP

PDB CCD ID: HHR
Number of entries in BioLiP: 17
Chemical formula: C7 H7 N5 O2
InChI: InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14)
InChIKey: XGWIBNWDLMIPNF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(nc2c(n1)N=C(NC2=O)N)CO
ACDLabs 10.04O=C1c2nc(cnc2N=C(N1)N)CO
CACTVS 3.341NC1=Nc2ncc(CO)nc2C(=O)N1
Name:6-HYDROXYMETHYLPTERIN
ChEMBL: CHEMBL101541
DrugBank: DB03197
ZINC: ZINC000016051887
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).