SEQ2FUN

BioLiP

PDB CCD ID: BHS
Number of entries in BioLiP: 4
Chemical formula: C9 H15 N5 O3
InChI: InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4-,6-/m1/s1
InChIKey: FNKQXYHWGSIFBK-ZMIZWQJLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[C@@H](O)[C@@H](O)[C@H]1CNC2=C(N1)C(=O)NC(=N2)N
OpenEye OEToolkits 1.5.0C[C@H]([C@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O
ACDLabs 10.04O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O
CACTVS 3.341C[CH](O)[CH](O)[CH]1CNC2=C(N1)C(=O)NC(=N2)N
Name:6S-5,6,7,8-TETRAHYDROBIOPTERIN
DrugBank: DB03918
ZINC: ZINC000013815072
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).