BioLiP

PDB

BioLiP

PDB CCD ID:

MSG

Number of entries in BioLiP:

Chemical formula:

C11 H15 N5 O4 S

InChI:

InChI=1S/C11H15N5O4S/c1-15-3-16(8-5(15)9(21)14-11(12)13-8)10-7(19)6(18)4(2-17)20-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,21)/t4-,6-,7-,10-/m1/s1

InChIKey:

RFHIWBUKNJIBSE-KQYNXXCUSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	[S-]c3nc(nc1c3[n+](cn1C2OC(C(O)C2O)CO)C)N
CACTVS 3.341	C[n+]1cn([CH]2O[CH](CO)[CH](O)[CH]2O)c3nc(N)nc([S-])c13
OpenEye OEToolkits 1.5.0	C[n+]1cn(c2c1c(nc(n2)N)[S-])[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
CACTVS 3.341	C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c3nc(N)nc([S-])c13
OpenEye OEToolkits 1.5.0	C[n+]1cn(c2c1c(nc(n2)N)[S-])C3C(C(C(O3)CO)O)O

Name:

7-METHYL-6-THIO-GUANOSINE

ChEMBL:

CHEMBL1234483

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).