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Ligand

NameBIM 23052
Molecular formulaC61H75N11O10
IUPAC name(2S)-6-amino-N-[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1122.34
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP2.7
SynonymsLS-153743
BDBM82253
CAS_133073-82-2
CHEMBL3350178
AKOS024457311
[ Show all ]
Inchi KeyHMTCBXPQKWFOMG-QWXJMLLVSA-N
Inchi IDInChI=1S/C61H75N11O10/c1-37(73)52(54(64)75)71-60(81)50(34-42-25-13-6-14-26-42)70-61(82)53(38(2)74)72-56(77)47(29-17-18-30-62)66-59(80)51(35-43-36-65-46-28-16-15-27-44(43)46)69-58(79)49(33-41-23-11-5-12-24-41)68-57(78)48(32-40-21-9-4-10-22-40)67-55(76)45(63)31-39-19-7-3-8-20-39/h3-16,19-28,36-38,45,47-53,65,73-74H,17-18,29-35,62-63H2,1-2H3,(H2,64,75)(H,66,80)(H,67,76)(H,68,78)(H,69,79)(H,70,82)(H,71,81)(H,72,77)/t37-,38-,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
PubChem CID9963480
ChEMBLN/A
IUPHARN/A
BindingDB82253
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: 12
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
118921Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
555934Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
555935Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
555936Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
118924Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
118925Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
118927Somatostatin receptor type 3P30936Sstr3Rattus norvegicus (Rat)428
118922Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
118923Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
460295Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
118920Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364
118926Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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