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Ligand

NameBDBM82458
Molecular formulaC52H68N10O9
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-(naphthalen-2-ylmethylamino)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight977.177
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP3.4
SynonymsD-Nal-Ala-Tyr-D-Trp-Lys-Val-Ala-Thr-NH2
BIM 23049
Inchi KeyCNHZCQXPLDLYRR-XCFOAALMSA-N
Inchi IDInChI=1S/C52H68N10O9/c1-29(2)44(52(71)57-31(4)48(67)62-45(32(5)63)46(54)65)61-49(68)41(16-10-11-23-53)58-51(70)43(26-37-28-56-40-15-9-8-14-39(37)40)60-50(69)42(25-33-18-21-38(64)22-19-33)59-47(66)30(3)55-27-34-17-20-35-12-6-7-13-36(35)24-34/h6-9,12-15,17-22,24,28-32,41-45,55-56,63-64H,10-11,16,23,25-27,53H2,1-5H3,(H2,54,65)(H,57,71)(H,58,70)(H,59,66)(H,60,69)(H,61,68)(H,62,67)/t30-,31-,32+,41-,42-,43+,44-,45-/m0/s1
PubChem CID91867458
ChEMBLN/A
IUPHARN/A
BindingDB82458
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
46041Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
555651Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
555652Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
46044Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
46046Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
46043Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
46045Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
459632Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
46040Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363
46042Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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