BioLiP

PDB

BioLiP

PDB CCD ID:

FNX

Number of entries in BioLiP:

Chemical formula:

C15 H16 N6 O2

InChI:

InChI=1S/C15H16N6O2/c1-9-2-4-10(5-3-9)17-6-11-7-18-13-12(21(11)8-22)14(23)20-15(16)19-13/h2-6,8,11-12H,7H2,1H3,(H3,16,18,19,20,23)/b17-6+/t11-,12+/m1/s1

InChIKey:

UDYJDSNAUDQZNM-RMTXVELISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	Cc1ccc(cc1)N=C[C@@H]2CNC3=NC(=NC(=O)C3N2C=O)N
CACTVS 3.385	Cc1ccc(cc1)N=C[CH]2CNC3=NC(=NC(=O)[CH]3N2C=O)N
OpenEye OEToolkits 2.0.4	Cc1ccc(cc1)N=CC2CNC3=NC(=NC(=O)C3N2C=O)N
ACDLabs 12.01	O=CN1C3C(NCC1[C@H]=Nc2ccc(cc2)C)=NC(=NC3=O)N
CACTVS 3.385	Cc1ccc(cc1)N=C[C@@H]2CNC3=NC(=NC(=O)[C@H]3N2C=O)N

Name:

(4aS,6S)-2-amino-6-{(E)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4aH)-carbaldehyde

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).