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Ligand

NameBDBM84638
Molecular formulaC58H71N11O10
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1082.27
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP3.4
SynonymsBIM 23070
Inchi KeyZROMZGCPGMXTNI-RXIRDAQOSA-N
Inchi IDInChI=1S/C58H71N11O10/c1-33(63-54(75)44(60)28-36-14-5-4-6-15-36)53(74)67-48(29-37-23-25-41(71)26-24-37)56(77)68-49(31-40-32-62-45-21-10-9-20-43(40)45)57(78)65-46(22-11-12-27-59)55(76)69-50(35(3)70)58(79)64-34(2)52(73)66-47(51(61)72)30-39-18-13-17-38-16-7-8-19-42(38)39/h4-10,13-21,23-26,32-35,44,46-50,62,70-71H,11-12,22,27-31,59-60H2,1-3H3,(H2,61,72)(H,63,75)(H,64,79)(H,65,78)(H,66,73)(H,67,74)(H,68,77)(H,69,76)/t33-,34-,35?,44+,46-,47-,48-,49+,50-/m0/s1
PubChem CID91898904
ChEMBLN/A
IUPHARN/A
BindingDB84638
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
435788Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
557280Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
435787Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
435785Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
435786Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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