BioLiP

PDB

BioLiP

PDB CCD ID:

ZGU

Number of entries in BioLiP:

Chemical formula:

C8 H12 N5 O6 P

InChI:

InChI=1S/C8H12N5O6P/c9-8-11-6-5(7(15)12-8)10-3-13(6)1-4(14)2-19-20(16,17)18/h3-4,14H,1-2H2,(H2,16,17,18)(H3,9,11,12,15)/t4-/m0/s1

InChIKey:

RFPODYUIIQSFDZ-BYPYZUCNSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=P(O)(O)OCC(O)Cn1c2N=C(NC(=O)c2nc1)N
OpenEye OEToolkits 1.5.0	c1nc2c(n1CC(COP(=O)(O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0	c1nc2c(n1C[C@@H](COP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341	NC1=Nc2n(C[CH](O)CO[P](O)(O)=O)cnc2C(=O)N1
CACTVS 3.341	NC1=Nc2n(C[C@H](O)CO[P](O)(O)=O)cnc2C(=O)N1

Name:

(S)-1'-(2',3'-DIHYDROXYPROPYL)-GUANINE

ZINC:

ZINC000058638968

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).