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Ligand

NameCHEMBL65100
Molecular formulaC38H52N8O6
IUPAC name2-[[1-[2-[2-(4-aminobutanoylamino)-3-phenylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight716.884
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP-0.8
SynonymsBDBM50407815
Inchi KeyFDTLSGIHPYBNMY-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H52N8O6/c39-18-8-17-33(47)43-29(20-24-10-2-1-3-11-24)35(49)45-23-27-14-5-4-12-25(27)21-32(45)36(50)46-30-16-7-6-13-26(30)22-31(46)34(48)44-28(37(51)52)15-9-19-42-38(40)41/h1-5,10-12,14,26,28-32H,6-9,13,15-23,39H2,(H,43,47)(H,44,48)(H,51,52)(H4,40,41,42)
PubChem CID44306584
ChEMBLN/A
IUPHARN/A
BindingDB50407815
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
75872B2 bradykinin receptorQ28642BDKRB2Oryctolagus cuniculus (Rabbit)367

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