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Ligand

NameCHEMBL437448
Molecular formulaC54H66Br2N12O8S2
IUPAC name(4S,7R,10S,13R,16S,19R)-N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-19-[[(2S)-2-amino-3-(4-bromophenyl)propanoyl]amino]-10-(4-aminobutyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-16-(pyridin-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1235.13
Hydrogen bond acceptor13
Hydrogen bond donor11
XlogP4.1
SynonymsBDBM50077294
H-Bpa-cyclo[DCys-Pal-DTrp-Lys-Val-Cys]-Bpa-NH2
Inchi KeyBVMHYIWJEQRHNC-HGYOODBQSA-N
Inchi IDInChI=1S/C54H66Br2N12O8S2/c1-30(2)46-54(76)67-45(52(74)63-41(47(59)69)23-32-14-18-36(56)19-15-32)29-78-77-28-44(66-48(70)38(58)22-31-12-16-35(55)17-13-31)53(75)64-42(24-33-8-7-21-60-26-33)50(72)65-43(25-34-27-61-39-10-4-3-9-37(34)39)51(73)62-40(49(71)68-46)11-5-6-20-57/h3-4,7-10,12-19,21,26-27,30,38,40-46,61H,5-6,11,20,22-25,28-29,57-58H2,1-2H3,(H2,59,69)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,70)(H,67,76)(H,68,71)/t38-,40-,41-,42-,43+,44-,45+,46+/m0/s1
PubChem CID44298250
ChEMBLCHEMBL437448
IUPHARN/A
BindingDB50077294
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
33865Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
33867Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
33864Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
33866Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
33868Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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