BioLiP

PDB

BioLiP

PDB CCD ID:

93D

Number of entries in BioLiP:

Chemical formula:

C9 H15 N4 O6 P

InChI:

InChI=1S/C9H15N4O6P/c10-8-4(2-12-9(11)13-8)6-1-5(14)7(19-6)3-18-20(15,16)17/h2,5-7,14H,1,3H2,(H2,15,16,17)(H4,10,11,12,13)/t5-,6+,7+/m0/s1

InChIKey:

MXGZIYVRSFKADT-RRKCRQDMSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ncc([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)c(N)n1
ACDLabs 12.01	P(OCC1C(O)CC(O1)c2cnc(nc2N)N)(O)(=O)O
OpenEye OEToolkits 2.0.6	c1c(c(nc(n1)N)N)C2CC(C(O2)COP(=O)(O)O)O
OpenEye OEToolkits 2.0.6	c1c(c(nc(n1)N)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
CACTVS 3.385	Nc1ncc([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)c(N)n1

Name:

(1R)-1,4-anhydro-2-deoxy-1-(2,4-diaminopyrimidin-5-yl)-5-O-phosphono-D-erythro-pentitol

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).