BioLiP

PDB

BioLiP

PDB CCD ID:

HBL

Number of entries in BioLiP:

Chemical formula:

C9 H13 N5 O3

InChI:

InChI=1/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1/f/h11,14H,10H2

InChIKey:

FEMXZDUTFRTWPE-UEMHKTSSDN

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O
OpenEye OEToolkits 1.5.0	C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O
CACTVS 3.341	C[C@H](O)[C@H](O)C1=NC2=C(NC1)N=C(N)NC2=O
ACDLabs 10.04	O=C1NC(=NC=2NCC(=NC1=2)C(O)C(O)C)N
CACTVS 3.341	C[CH](O)[CH](O)C1=NC2=C(NC1)N=C(N)NC2=O

Name:

7,8-DIHYDRO-L-BIOPTERIN

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).