BioLiP

PDB

BioLiP

PDB CCD ID:

MTU

Number of entries in BioLiP:

Chemical formula:

C10 H14 N5 O7 P

InChI:

InChI=1S/C10H14N5O7P/c11-10-12-1-4-8(14-10)15(3-13-4)9-7(17)6(16)5(22-9)2-21-23(18,19)20/h1,3,5-7,9,16-17H,2H2,(H2,11,12,14)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1

InChIKey:

ZBZOSANSUPOJNF-JXOAFFINSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=P(O)(O)OCC3OC(n2cnc1cnc(nc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0	c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
CACTVS 3.341	Nc1ncc2ncn([C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)c2n1
CACTVS 3.341	Nc1ncc2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1
OpenEye OEToolkits 1.5.0	c1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O

Name:

9-BETA-D-RIBOFURANOSYL-9H-PURIN-2-AMINE

ZINC:

ZINC000058650394

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).