BioLiP

PDB

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C10 H14 N5 O8 P

InChI:

InChI=1S/C10H14N5O8P/c11-7-4-8(14-10(18)13-7)15(2-12-4)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

InChIKey:

CGCGQFDYTLYDPF-UUOKFMHZSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC1=C2N=CN([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)C2=NC(=O)N1
ACDLabs 10.04	O=C3N=C1C(N=CN1C2OC(C(O)C2O)COP(=O)(O)O)=C(N)N3
OpenEye OEToolkits 1.5.0	C1=NC2=C(NC(=O)N=C2N1C3C(C(C(O3)COP(=O)(O)O)O)O)N
OpenEye OEToolkits 1.5.0	C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
CACTVS 3.341	NC1=C2N=CN([C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)C2=NC(=O)N1

Name:

ISOGUANOSINE-5'-MONOPHOSPHATE

ZINC:

ZINC000013544314

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).