BioLiP

PDB

BioLiP

PDB CCD ID:

DDG

Number of entries in BioLiP:

Chemical formula:

C10 H14 N5 O6 P

InChI:

InChI=1S/C10H14N5O6P/c11-10-13-8-7(9(16)14-10)12-4-15(8)6-2-1-5(21-6)3-20-22(17,18)19/h4-6H,1-3H2,(H2,17,18,19)(H3,11,13,14,16)/t5-,6+/m0/s1

InChIKey:

SDMRBYKCQICSIT-NTSWFWBYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1c2ncn(c2N=C(N)N1)C3OC(CC3)COP(=O)(O)O
OpenEye OEToolkits 1.5.0	c1nc2c(n1C3CCC(O3)COP(=O)(O)O)N=C(NC2=O)N
CACTVS 3.341	NC1=Nc2n(cnc2C(=O)N1)[CH]3CC[CH](CO[P](O)(O)=O)O3
OpenEye OEToolkits 1.5.0	c1nc2c(n1[C@H]3CC[C@H](O3)COP(=O)(O)O)N=C(NC2=O)N
CACTVS 3.341	NC1=Nc2n(cnc2C(=O)N1)[C@H]3CC[C@@H](CO[P](O)(O)=O)O3

Name:

2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATE

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).