BioLiP

PDB

BioLiP

PDB CCD ID:

4AB

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C(C1CNc2c(c(nc(n2)N)N)N1)O)O
OpenEye OEToolkits 1.5.0	C[C@@H]([C@@H]([C@H]1CNc2c(c(nc(n2)N)N)N1)O)O
ACDLabs 10.04	n2c(nc1c(NC(CN1)C(O)C(O)C)c2N)N
CACTVS 3.341	C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)nc(N)c2N1
CACTVS 3.341	C[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, 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).