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Ligand

NameCHEMBL408799
Molecular formulaC40H42N4O6S
IUPAC namebenzyl 13,13,15,30-tetraoxo-29-propyl-13lambda6-thia-1,14,23,28-tetrazapentacyclo[22.5.3.23,6.07,12.027,31]tetratriaconta-3(34),4,6(33),7,9,11,24(32),25,27(31),28-decaene-23-carboxylate
Molecular weight706.858
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.7
SynonymsBDBM50289165
L010490
Inchi KeyDBXDZBCKNLXMMD-UHFFFAOYSA-N
Inchi IDInChI=1S/C40H42N4O6S/c1-2-13-37-41-35-24-23-32-26-34(35)39(46)44(37)27-29-19-21-31(22-20-29)33-16-10-11-17-36(33)51(48,49)42-38(45)18-9-4-3-5-12-25-43(32)40(47)50-28-30-14-7-6-8-15-30/h6-8,10-11,14-17,19-24,26H,2-5,9,12-13,18,25,27-28H2,1H3,(H,42,45)
PubChem CID44211672
ChEMBLCHEMBL408799
IUPHARN/A
BindingDB50289165
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
56094Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
56093Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363

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