BioLiP

PDB

BioLiP

PDB CCD ID:

2K8

Number of entries in BioLiP:

Chemical formula:

C7 H9 N5 O3

InChI:

InChI=1S/C7H9N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h2,10H,1H2,(H,14,15)(H4,8,9,11,12,13)/t2-/m1/s1

InChIKey:

QSIYONWVWDSRRO-UWTATZPHSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C2NC1=C(N=C(N)NC1=O)NC2
OpenEye OEToolkits 1.7.6	C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O
CACTVS 3.385	NC1=NC2=C(N[C@H](CN2)C(O)=O)C(=O)N1
OpenEye OEToolkits 1.7.6	C1C(NC2=C(N1)N=C(NC2=O)N)C(=O)O
CACTVS 3.385	NC1=NC2=C(N[CH](CN2)C(O)=O)C(=O)N1

Name:

(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid;
6-carboxy-5,6,7,8-tetrahydropterin

ZINC:

ZINC000062238705

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).