Ligand
Ligand Name:   ({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-2-{[3-(prop-2-enamido)propyl]amino}-3H-purin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)aminophosphonic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB157 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc(NCCCNC(=O)C=C)[nH]c2=O
Standard InChI:   InChI=1S/C16H26N7O14P3/c1-2-9(24)17-4-3-5-18-16-20-13-10(14(27)21-16)19-7-23(13)15-12(26)11(25)8(36-15)6-35-40(33,34)37-39(31,32)22-38(28,29)30/h2,7-8,11-12,15,25-26H,1,3-6H2,(H,17,24)(H,33,34)(H2,18,20,21,27)(H4,22,28,29,30,31,32)/t8-,11-,12-,15-/m1/s1
Molecular Formula:   C16H26N7O14P3 Mol. Weight:   633.0751 logP:   -2.2407
HBD:   10 HBA:   14
#Rotatable Bonds:   14 TPSA:   317.01

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Ypt/Rab-type GTPase YPT7 P32939 (YPT7_YEAST) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) 4PHH 2UK
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