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Ligand

NameBDBM82462
Molecular formulaC54H68N12O12S2
IUPAC name(7S,10R,13S,16S)-13-(4-aminobutyl)-3-N-(1-amino-4-hydroxy-3-methyl-1-oxobutan-2-yl)-19-N-[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-7-[(4-hydroxyphenyl)methyl]-16-(1-hydroxypropan-2-yl)-10-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-1,2-dithia-4,6,9,12,15,18-hexazacyclononadecane-3,19-dicarboxamide
Molecular weight1141.33
Hydrogen bond acceptor15
Hydrogen bond donor15
XlogP1.5
SynonymsBIM 23059
D-Nal-c[Cys-Tyr-D-Trp-Lys-Thr-Cys]-Thr-NH2
Inchi KeyRDICEKIOKMLMQV-OOMHNQPKSA-N
Inchi IDInChI=1S/C54H68N12O12S2/c1-28(26-67)42(45(57)71)63-51(77)53-66-54(78)62-40(22-30-15-18-35(69)19-16-30)47(73)61-41(24-34-25-58-37-12-6-5-11-36(34)37)48(74)59-38(13-7-8-20-55)46(72)64-43(29(2)27-68)49(75)65-52(79-80-53)50(76)60-39(44(56)70)23-31-14-17-32-9-3-4-10-33(32)21-31/h3-6,9-12,14-19,21,25,28-29,38-43,52-53,58,67-69H,7-8,13,20,22-24,26-27,55H2,1-2H3,(H2,56,70)(H2,57,71)(H,59,74)(H,60,76)(H,61,73)(H,63,77)(H,64,72)(H,65,75)(H2,62,66,78)/t28?,29?,38-,39-,40-,41+,42?,43-,52?,53?/m0/s1
PubChem CID57339671
ChEMBLN/A
IUPHARN/A
BindingDB82462
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
293363Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556617Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
556618Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
293358Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
293362Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
293361Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
293364Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
461729Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
293359Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364
293360Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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