BioLiP

PDB

BioLiP

PDB CCD ID:

A1J0V

Number of entries in BioLiP:

Chemical formula:

C10 H14 N6 O2

InChI:

InChI=1S/C10H14N6O2/c11-9-8-10(14-4-13-9)16(5-15-8)7-2-12-1-6(3-17)18-7/h4-7,12,17H,1-3H2,(H2,11,13,14)/t6-,7+/m0/s1

InChIKey:

BYMMQFFKVVGQKW-NKWVEPMBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ncnc2n(cnc12)[C@H]3CNC[C@@H](CO)O3
OpenEye OEToolkits 2.0.7	c1nc(c2c(n1)n(cn2)C3CNCC(O3)CO)N
OpenEye OEToolkits 2.0.7	c1nc(c2c(n1)n(cn2)[C@H]3CNC[C@H](O3)CO)N
CACTVS 3.385	Nc1ncnc2n(cnc12)[CH]3CNC[CH](CO)O3

Name:

[(2~{S},6~{R})-6-(6-aminopurin-9-yl)morpholin-2-yl]methanol

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).