BioLiP

PDB

BioLiP

PDB CCD ID:

NPR

Number of entries in BioLiP:

Chemical formula:

C9 H13 N5 O4

InChI:

InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6-/m0/s1

InChIKey:

YQIFAMYNGGOTFB-NJGYIYPDSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC1=NC(=O)C2=C(NCC(=N2)[CH](O)[CH](O)CO)N1
OpenEye OEToolkits 1.5.0	C1C(=NC2=C(N1)NC(=NC2=O)N)C(C(CO)O)O
CACTVS 3.341	NC1=NC(=O)C2=C(NCC(=N2)[C@H](O)[C@@H](O)CO)N1
ACDLabs 10.04	O=C1N=C(NC=2NCC(=NC1=2)C(O)C(O)CO)N
OpenEye OEToolkits 1.5.0	C1C(=NC2=C(N1)NC(=NC2=O)N)[C@@H]([C@@H](CO)O)O

Name:

2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE;
7,8-DIHYDRONEOPTERIN

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).