BioLiP

PDB

BioLiP

PDB CCD ID:

6SX

Number of entries in BioLiP:

Chemical formula:

C10 H11 N4 O6 P

InChI:

InChI=1S/C10H11N4O6P/c15-7-8-6(2-18-21(16,17)20-8)19-10(7)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15H,2H2,(H,16,17)/t6-,7-,8-,10-/m1/s1

InChIKey:

AVSJXTVPIHQRPY-FDDDBJFASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O
OpenEye OEToolkits 2.0.5	c1c2c(ncn1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O
CACTVS 3.385	O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1n3cnc4cncnc34
CACTVS 3.385	O[C@@H]1[C@@H]2O[P](O)(=O)OC[C@H]2O[C@H]1n3cnc4cncnc34

Name:

Purine riboside-3',5'-cyclic monophosphate;
cPuMP

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).