BioLiP

PDB

BioLiP

PDB CCD ID:

H5P

Number of entries in BioLiP:

Chemical formula:

C7 H11 N2 O9 P

InChI:

InChI=1S/C7H11N2O9P/c10-3-2(1-17-19(14,15)16)18-7(4(3)11)5(12)8-6(13)9-7/h2-4,10-11H,1H2,(H2,14,15,16)(H2,8,9,12,13)/t2-,3-,4-,7+/m1/s1

InChIKey:

HVXIMXHBUJADCC-GTBMBKLPSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[CH]1[CH](O)[C]2(NC(=O)NC2=O)O[CH]1CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O
CACTVS 3.341	O[C@H]1[C@@H](O)[C@]2(NC(=O)NC2=O)O[C@@H]1CO[P](O)(O)=O
ACDLabs 10.04	O=C2NC(=O)NC21OC(C(O)C1O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0	C(C1C(C(C2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O

Name:

HYDANTOCIDIN-5'-PHOSPHATE

ChEMBL:

CHEMBL323799

DrugBank:

DB02493

ZINC:

ZINC000013507911

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).