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Ligand

NameCHEMBL304374
Molecular formulaC42H62N8O6S
IUPAC name2-[[1-[2-[2-(10-aminodecanoylamino)-3-thiophen-2-ylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight807.068
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP1.8
SynonymsBDBM50407806
Inchi KeyCCVSJMMLKRTNRE-UHFFFAOYSA-N
Inchi IDInChI=1S/C42H62N8O6S/c43-21-11-5-3-1-2-4-6-20-37(51)47-33(26-31-17-13-23-57-31)39(53)49-27-30-16-8-7-14-28(30)24-36(49)40(54)50-34-19-10-9-15-29(34)25-35(50)38(52)48-32(41(55)56)18-12-22-46-42(44)45/h7-8,13-14,16-17,23,29,32-36H,1-6,9-12,15,18-22,24-27,43H2,(H,47,51)(H,48,52)(H,55,56)(H4,44,45,46)
PubChem CID44306662
ChEMBLN/A
IUPHARN/A
BindingDB50407806
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
38997B2 bradykinin receptorQ28642BDKRB2Oryctolagus cuniculus (Rabbit)367

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