BioLiP

PDB

BioLiP

PDB CCD ID:

G38

Number of entries in BioLiP:

Chemical formula:

C10 H15 N6 O6 P

InChI:

InChI=1S/C10H15N6O6P/c11-4-1-6(22-5(4)2-21-23(18,19)20)16-3-13-7-8(16)14-10(12)15-9(7)17/h3-6H,1-2,11H2,(H2,18,19,20)(H3,12,14,15,17)/t4-,5+,6+/m0/s1

InChIKey:

NXFVSUMASOHYEH-KVQBGUIXSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)N
CACTVS 3.341	N[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)N
OpenEye OEToolkits 1.5.0	c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0	c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)N)N=C(NC2=O)N
ACDLabs 10.04	O=C1c2ncn(c2N=C(N)N1)C3OC(C(N)C3)COP(=O)(O)O

Name:

3'-AMINO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE

ZINC:

ZINC000058638447

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).