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Ligand

NameBDBM84624
Molecular formulaC61H74ClN11O11
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-hydroxy-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 weight1172.78
Hydrogen bond acceptor13
Hydrogen bond donor14
XlogP3.7
SynonymsBIM 23068
Inchi KeyHZUFJLNYZNGZLC-LETDFOQXSA-N
Inchi IDInChI=1S/C61H74ClN11O11/c1-35(74)52(54(65)77)72-60(83)50(30-38-15-7-4-8-16-38)71-61(84)53(36(2)75)73-56(79)47(19-11-12-28-63)67-59(82)51(33-41-34-66-46-18-10-9-17-44(41)46)70-58(81)49(32-40-22-26-43(76)27-23-40)69-57(80)48(31-39-20-24-42(62)25-21-39)68-55(78)45(64)29-37-13-5-3-6-14-37/h3-10,13-18,20-27,34-36,45,47-53,66,74-76H,11-12,19,28-33,63-64H2,1-2H3,(H2,65,77)(H,67,82)(H,68,78)(H,69,80)(H,70,81)(H,71,84)(H,72,83)(H,73,79)/t35-,36?,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
PubChem CID57339789
ChEMBLN/A
IUPHARN/A
BindingDB84624
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
128022Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
555989Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
555990Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
128024Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
128026Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
128023Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
128027Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
128025Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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