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Ligand

NameSCHEMBL1579410
Molecular formulaC62H76ClN11O10
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1170.81
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP5.3
SynonymsBIM 23057
CHEMBL3350160
BDBM84622
Inchi KeyUTXUNQJCIJXTTP-WMJDRJGJSA-N
Inchi IDInChI=1S/C62H76ClN11O10/c1-36(2)53(62(84)72-51(31-39-16-8-5-9-17-39)61(83)74-54(37(3)75)55(66)77)73-57(79)48(20-12-13-29-64)68-60(82)52(34-42-35-67-47-19-11-10-18-45(42)47)71-59(81)50(33-41-23-27-44(76)28-24-41)70-58(80)49(32-40-21-25-43(63)26-22-40)69-56(78)46(65)30-38-14-6-4-7-15-38/h4-11,14-19,21-28,35-37,46,48-54,67,75-76H,12-13,20,29-34,64-65H2,1-3H3,(H2,66,77)(H,68,82)(H,69,78)(H,70,80)(H,71,81)(H,72,84)(H,73,79)(H,74,83)/t37-,46-,48+,49+,50+,51+,52-,53+,54+/m1/s1
PubChem CID10285299
ChEMBLN/A
IUPHARN/A
BindingDB84622
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
345532Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556892Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
556893Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
345534Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
345531Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
345535Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
345533Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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