BioLiP

PDB

BioLiP

PDB CCD ID:

IGU

Number of entries in BioLiP:

Chemical formula:

C10 H14 N5 O7 P

InChI:

InChI=1S/C10H14N5O7P/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1

InChIKey:

GEQDRKVFKBSPSW-KVQBGUIXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1C(C(OC1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O
OpenEye OEToolkits 1.7.6	C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O
ACDLabs 12.01	P(=O)(O)(O)OCC1OC(CC1O)N2C=NC3=C(N)NC(=O)N=C23
CACTVS 3.385	NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)C2=NC(=O)N1
CACTVS 3.385	NC1=C2N=CN([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C2=NC(=O)N1

Name:

2'-DEOXYISOGUANINE-5'-MONOPHOSPHATE

ZINC:

ZINC000038321450

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).