BioLiP

PDB

BioLiP

PDB CCD ID:

44V

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-/m0/s1

InChIKey:

HWOZEJJVUCALGB-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.9.2	C[C@H]1CNC2=C(N1)C(=O)NC(=N2)N
OpenEye OEToolkits 1.9.2	CC1CNC2=C(N1)C(=O)NC(=N2)N
ACDLabs 12.01	O=C1C2=C(N=C(N)N1)NCC(N2)C
CACTVS 3.385	C[CH]1CNC2=C(N1)C(=O)NC(=N2)N

Name:

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

ZINC:

ZINC000013508950

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).