BioLiP

PDB

BioLiP

PDB CCD ID:

1JX

Number of entries in BioLiP:

Chemical formula:

C8 H9 N3 O

InChI:

InChI=1S/C8H9N3O/c1-5-8(12)11-7-6(10-5)3-2-4-9-7/h2-5,10H,1H3,(H,9,11,12)/t5-/m1/s1

InChIKey:

XMOQIVFMYHKHRR-RXMQYKEDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC1C(=O)Nc2c(cccn2)N1
CACTVS 3.370	C[CH]1Nc2cccnc2NC1=O
CACTVS 3.370	C[C@H]1Nc2cccnc2NC1=O
OpenEye OEToolkits 1.7.6	C[C@@H]1C(=O)Nc2c(cccn2)N1
ACDLabs 12.01	O=C2Nc1ncccc1NC2C

Name:

(2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one

ChEMBL:

CHEMBL3984982

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).