BioLiP

PDB

BioLiP

PDB CCD ID:

KF5

Number of entries in BioLiP:

Chemical formula:

C10 H13 N5 O

InChI:

InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-16-7/h5-7H,1-4H2,(H2,11,12,13)/t7-/m0/s1

InChIKey:

ATNWAGKQIUHFQP-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1nc(c2c(n1)n(cn2)C3CCCCO3)N
CACTVS 3.385	Nc1ncnc2n(cnc12)[CH]3CCCCO3
OpenEye OEToolkits 2.0.7	c1nc(c2c(n1)n(cn2)[C@@H]3CCCCO3)N
CACTVS 3.385	Nc1ncnc2n(cnc12)[C@@H]3CCCCO3

Name:

9-[(2~{S})-oxan-2-yl]purin-6-amine

ZINC:

ZINC000002043262

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).