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Ligand

NameMLS002154012
Molecular formulaC18H25N5NaO9P
IUPAC namesodium;[(4aS,5R,6R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3,2]dioxaphosphinin-5-yl] butanoate;hydrate
Molecular weight509.388
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogPNone
SynonymsNCGC00180936-01
HMS2230O14
SMR001233340
CHEMBL1397465
HMS2097D07
Inchi KeyASUSWJVFSJFICF-SNZQVKEJSA-M
Inchi IDInChI=1S/C18H24N5O8P.Na.H2O/c1-3-5-11(24)22-15-13-16(20-8-19-15)23(9-21-13)17-14(29-12(25)6-4-2)10-7-28-32(26,27)31-18(10)30-17;;/h8-10,14,17-18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);;1H2/q;+1;/p-1/t10-,14+,17+,18+;;/m0../s1
PubChem CID24871279
ChEMBLCHEMBL1397465
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13556Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
13553Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
13554Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
13555Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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