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Ligand

NameBIM-23058
Molecular formulaC62H77N11O10
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-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1136.36
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP4.7
SynonymsBDBM82459
CHEMBL3350159
BIM 23058
D-Phe-L-Phe-L-Tyr-D-Trp-L-Lys-L-Val-L-Phe-L-Thr-NH2
Inchi KeyPJCMWSADNFSZJV-BORIPLSNSA-N
Inchi IDInChI=1S/C62H77N11O10/c1-37(2)53(62(83)71-51(33-41-21-11-6-12-22-41)61(82)73-54(38(3)74)55(65)76)72-57(78)48(25-15-16-30-63)67-60(81)52(35-43-36-66-47-24-14-13-23-45(43)47)70-59(80)50(34-42-26-28-44(75)29-27-42)69-58(79)49(32-40-19-9-5-10-20-40)68-56(77)46(64)31-39-17-7-4-8-18-39/h4-14,17-24,26-29,36-38,46,48-54,66,74-75H,15-16,25,30-35,63-64H2,1-3H3,(H2,65,76)(H,67,81)(H,68,77)(H,69,79)(H,70,80)(H,71,83)(H,72,78)(H,73,82)/t38-,46-,48+,49+,50+,51+,52-,53+,54+/m1/s1
PubChem CID9833424
ChEMBLN/A
IUPHARN/A
BindingDB82459
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: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
261034Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556490Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
556491Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
261031Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
261036Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
261032Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
261035Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
461482Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
261030Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364
261033Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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