BioLiP

PDB

BioLiP

PDB CCD ID:

GN7

Number of entries in BioLiP:

Chemical formula:

C10 H14 N5 O7 P

InChI:

InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)15(3-12-8)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:

QJBOPENFRRNEQL-KVQBGUIXSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC1=Nc2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2C(=O)N1
ACDLabs 10.04	O=C3c1c(ncn1C2OC(C(O)C2)COP(=O)(O)O)N=C(N)N3
OpenEye OEToolkits 1.5.0	c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)NC(=N2)N
CACTVS 3.341	NC1=Nc2ncn([C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)c2C(=O)N1
OpenEye OEToolkits 1.5.0	c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)C(=O)NC(=N2)N

Name:

N7-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE

ZINC:

ZINC000058632497

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).