BioLiP

PDB

BioLiP

PDB CCD ID:

BZG

Number of entries in BioLiP:

Chemical formula:

C17 H20 N5 O7 P

InChI:

InChI=1S/C17H20N5O7P/c18-17-20-15-14(16(21-17)27-7-10-4-2-1-3-5-10)19-9-22(15)13-6-11(23)12(29-13)8-28-30(24,25)26/h1-5,9,11-13,23H,6-8H2,(H2,18,20,21)(H2,24,25,26)/t11-,12+,13+/m0/s1

InChIKey:

QWBOXDSUUMFHFW-YNEHKIRRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(cc1)COc2c3c(nc(n2)N)n(cn3)C4CC(C(O4)COP(=O)(O)O)O
OpenEye OEToolkits 1.7.6	c1ccc(cc1)COc2c3c(nc(n2)N)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O
CACTVS 3.370	Nc1nc(OCc2ccccc2)c3ncn([CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4)c3n1
CACTVS 3.370	Nc1nc(OCc2ccccc2)c3ncn([C@H]4C[C@H](O)[C@@H](CO[P](O)(O)=O)O4)c3n1
ACDLabs 12.01	O=P(O)(O)OCC4OC(n3cnc2c3nc(nc2OCc1ccccc1)N)CC4O

Name:

6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-9H-PURIN-2-AMINE;
O6-BENZYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE

ZINC:

ZINC000058638684

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).