BioLiP

PDB

BioLiP

PDB CCD ID:

WY7

Number of entries in BioLiP:

Chemical formula:

C13 H10 N6 O2

InChI:

InChI=1S/C13H10N6O2/c14-12-11-13(16-6-15-11)19(7-17-12)5-8-4-10(21-18-8)9-2-1-3-20-9/h1-4,6-7H,5,14H2

InChIKey:

VMYKOOSLEPKKOO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(oc1)c2cc(no2)Cn3cnc(c-4ncnc34)N
CACTVS 3.385	Nc1ncn(Cc2cc(on2)c3occc3)c4ncnc14
ACDLabs 12.01	c4(CN2C=NC(=C1N=CN=C12)N)cc(c3ccco3)on4

Name:

3-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-3H-purin-6-amine

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).