BioLiP

PDB

BioLiP

PDB CCD ID:

PPW

Number of entries in BioLiP:

Chemical formula:

C10 H14 N5 O7 P

InChI:

InChI=1S/C10H14N5O7P/c11-10-13-8-4(9(17)14-10)2-12-15(8)7-1-5(16)6(22-7)3-21-23(18,19)20/h2,5-7,16H,1,3H2,(H2,18,19,20)(H3,11,13,14,17)/t5-,6+,7+/m0/s1

InChIKey:

KGWPGOYMIMMQGK-RRKCRQDMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c2c(n(n1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N
ACDLabs 10.04	O=C1c2cnn(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O
OpenEye OEToolkits 1.5.0	c1c2c(n(n1)C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341	NC1=Nc2n(ncc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
CACTVS 3.341	NC1=Nc2n(ncc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3

Name:

7-DEAZA-8-AZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE

ZINC:

ZINC000058638362

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).