BioLiP

PDB

BioLiP

PDB CCD ID:

B62

Number of entries in BioLiP:

Chemical formula:

C7 H11 N5 O

InChI:

InChI=1S/C7H11N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3,10H,2H2,1H3,(H4,8,9,11,12,13)/t3-/m1/s1

InChIKey:

HWOZEJJVUCALGB-GSVOUGTGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1CNC2=C(N1)C(=O)NC(=N2)N
CACTVS 3.341 OpenEye OEToolkits 1.5.0	C[C@@H]1CNC2=C(N1)C(=O)NC(=N2)N
ACDLabs 10.04	O=C1C=2NC(CNC=2N=C(N1)N)C
CACTVS 3.341	C[CH]1CNC2=C(N1)C(=O)NC(=N2)N

Name:

(6R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one

ZINC:

ZINC000013508949

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).