BioLiP

PDB

BioLiP

PDB CCD ID:

CG8

Number of entries in BioLiP:

Chemical formula:

C10 H14 N4 O4

InChI:

InChI=1S/C10H14N4O4/c1-13-2-5-7(4-13)14(3-6(11)9(16)17)10(18)12-8(5)15/h6H,2-4,11H2,1H3,(H,16,17)(H,12,15,18)/t6-/m0/s1

InChIKey:

BJXZWHLUHLDGNK-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1CC2=C(C1)C(=O)NC(=O)N2C[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.6	CN1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.6	CN1CC2=C(C1)N(C(=O)NC2=O)CC(C(=O)O)N
CACTVS 3.385	CN1CC2=C(C1)C(=O)NC(=O)N2C[CH](N)C(O)=O

Name:

(2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid

ChEMBL:

CHEMBL4075364

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).