BioLiP

PDB

BioLiP

PDB CCD ID:

PGN

Number of entries in BioLiP:

Chemical formula:

C10 H15 N5 O10 P2

InChI:

InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(16)14-10)12-3-15(8)6-1-4(25-27(20,21)22)5(24-6)2-23-26(17,18)19/h3-6H,1-2H2,(H2,17,18,19)(H2,20,21,22)(H3,11,13,14,16)/t4-,5+,6+/m0/s1

InChIKey:

HLOADLNVPDIIIB-KVQBGUIXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O)N=C(NC2=O)N
CACTVS 3.341	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O[P](O)(O)=O)[CH](CO[P](O)(O)=O)O3
ACDLabs 10.04	O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3)COP(=O)(O)O
OpenEye OEToolkits 1.5.0	c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N=C(NC2=O)N
CACTVS 3.341	NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O[P](O)(O)=O)[C@@H](CO[P](O)(O)=O)O3

Name:

2'-DEOXYGUANOSINE-3',5'-DIPHOSPHATE

ChEMBL:

CHEMBL1235266

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).