BioLiP

PDB

BioLiP

PDB CCD ID:

T0A

Number of entries in BioLiP:

Chemical formula:

C7 H10 N4 O

InChI:

InChI=1S/C7H10N4O/c8-7-10-5-4(6(12)11-7)2-1-3-9-5/h1-3H2,(H4,8,9,10,11,12)

InChIKey:

PRQFDDYAWVNJMM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC1=NC2=C(CCCN2)C(=O)N1
OpenEye OEToolkits 2.0.6	C1CC2=C(NC1)N=C(NC2=O)N

Name:

5-deazatetrahydropterin

ZINC:

ZINC000017324969

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).