BioLiP

PDB

BioLiP

PDB CCD ID:

TGP

Number of entries in BioLiP:

Chemical formula:

C10 H14 N5 O6 P S

InChI:

InChI=1S/C10H14N5O6PS/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(21-6)2-23-22(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1

InChIKey:

AHOKECUHLPOZOT-KVQBGUIXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CSP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CS[P](O)(O)=O)O3
OpenEye OEToolkits 1.5.0	c1nc2c(n1C3CC(C(O3)CSP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341	NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CS[P](O)(O)=O)O3
ACDLabs 10.04	O=P(O)(O)SCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O

Name:

5'-THIO-2'-DEOXY-GUANOSINE PHOSPHONIC ACID

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).