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BioLiP

PDB CCD ID: 4AB
Number of entries in BioLiP: 2
Chemical formula: C9 H16 N6 O2
InChI: InChI=1S/C9H16N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h3-4,6,13,16-17H,2H2,1H3,(H5,10,11,12,14,15)/t3-,4+,6-/m0/s1
InChIKey: NDSDGUULXHNXGA-RPDRRWSUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(C1CNc2c(c(nc(n2)N)N)N1)O)O
OpenEye OEToolkits 1.5.0C[C@@H]([C@@H]([C@H]1CNc2c(c(nc(n2)N)N)N1)O)O
ACDLabs 10.04n2c(nc1c(NC(CN1)C(O)C(O)C)c2N)N
CACTVS 3.341C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)nc(N)c2N1
CACTVS 3.341C[CH](O)[CH](O)[CH]1CNc2nc(N)nc(N)c2N1
Name:2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE;
4-AMINO 5,6,7,8-TETRAHYDROBIOPTERIN
ChEMBL: CHEMBL1230245
DrugBank: DB12575
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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