SEQ2FUN

BioLiP

PDB CCD ID: PMM
Number of entries in BioLiP: 9
Chemical formula: C7 H8 N5 O5 P
InChI: InChI=1S/C7H8N5O5P/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-17-18(14,15)16/h1H,2H2,(H2,14,15,16)(H3,8,9,11,12,13)
InChIKey: AJXFJEHKGGCFNM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC1=Nc2ncc(CO[P](O)(O)=O)nc2C(=O)N1
OpenEye OEToolkits 1.5.0c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCc1nc2C(=O)NC(=Nc2nc1)N
Name:PTERIN-6-YL-METHYL-MONOPHOSPHATE
ChEMBL: CHEMBL1159902
DrugBank: DB03592
ZINC: ZINC000005973848
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).