BioLiP

PDB

BioLiP

PDB CCD ID:

ZSP

Number of entries in BioLiP:

Chemical formula:

C9 H11 N5 O3

InChI:

InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h15-16H,2H2,1H3,(H4,10,11,13,14,17)/b6-3-

InChIKey:

FYDGMRRMOMSOLR-UTCJRWHESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C/C(=C(\C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O
CACTVS 3.385	CC(O)=C(O)C1=NC2=C(NC1)N=C(N)NC2=O
CACTVS 3.385	CC(/O)=C(O)\C1=NC2=C(NC1)N=C(N)NC2=O
OpenEye OEToolkits 1.7.6	CC(=C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O
ACDLabs 12.01	O=C1C=2N=C(C(\O)=C(\O)C)CNC=2N=C(N)N1

Name:

2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one;
Sepiapterin (enol-form)

ZINC:

ZINC000103562712

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).