BioLiP

PDB

BioLiP

PDB CCD ID:

6SZ

Number of entries in BioLiP:

Chemical formula:

C10 H12 N5 O6 P

InChI:

InChI=1S/C10H12N5O6P/c11-10-12-1-4-8(14-10)15(3-13-4)9-6(16)7-5(20-9)2-19-22(17,18)21-7/h1,3,5-7,9,16H,2H2,(H,17,18)(H2,11,12,14)/t5-,6-,7-,9-/m1/s1

InChIKey:

ZZUVWWINFTZMGV-JXOAFFINSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ncc2ncn([C@@H]3O[C@@H]4CO[P](O)(=O)O[C@H]4[C@H]3O)c2n1
OpenEye OEToolkits 2.0.5	c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O
OpenEye OEToolkits 2.0.5	c1c2c(nc(n1)N)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O
CACTVS 3.385	Nc1ncc2ncn([CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O)c2n1

Name:

2-Aminopurine riboside-3',5'-cyclic monophosphate;
2-NH2-cPuMP

ZINC:

ZINC000038580933

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).