BioLiP

PDB

BioLiP

PDB CCD ID:

A1I61

Number of entries in BioLiP:

Chemical formula:

C14 H20 N4 O2

InChI:

InChI=1S/C14H20N4O2/c1-2-20-12-11-10(16-14(15)17-12)8-18(13(11)19)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,15,16,17)

InChIKey:

OHMOSKPEUXXALI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCOc1c2c(nc(n1)N)CN(C2=O)C3CCCCC3
CACTVS 3.385	CCOc1nc(N)nc2CN(C3CCCCC3)C(=O)c12

Name:

2-azanyl-6-cyclohexyl-4-ethoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one

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).