BioLiP

PDB

BioLiP

PDB CCD ID:

MG1

Number of entries in BioLiP:

Chemical formula:

C11 H16 N5 O7 P

InChI:

InChI=1S/C11H16N5O7P/c1-15-10(18)8-9(14-11(15)12)16(4-13-8)7-2-5(17)6(23-7)3-22-24(19,20)21/h4-7,17H,2-3H2,1H3,(H2,12,14)(H2,19,20,21)/t5-,6+,7+/m0/s1

InChIKey:

GQIQEQNQLGRCMV-RRKCRQDMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C1N
CACTVS 3.341	CN1C(=Nc2n(cnc2C1=O)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)N
ACDLabs 10.04	O=C1c2ncn(c2N=C(N)N1C)C3OC(C(O)C3)COP(=O)(O)O
OpenEye OEToolkits 1.5.0	CN1C(=O)c2c(n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N=C1N
CACTVS 3.341	CN1C(=Nc2n(cnc2C1=O)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)N

Name:

2'-DEOXY-1-METHYLGUANOSINE 5'-(DIHYDROGEN PHOSPHATE)

ZINC:

ZINC000058638555

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).