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Ligand

NameBDBM85011
Molecular formulaC52H68N12O13S2
IUPAC name(4S,7R,10S,13R,16S,19R)-19-[[(2R)-2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-10-(4-aminobutyl)-N-[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1133.31
Hydrogen bond acceptor16
Hydrogen bond donor13
XlogP1.3
SynonymsAcNH-4-NO2-Phe-c[Cys-Tyr-D-Trp-Lys-Thr-Cys]-Tyr-NH2
Inchi KeyCEYQBPRBYSKBTL-OSKZNUBXSA-N
Inchi IDInChI=1S/C52H68N12O13S2/c1-27(2)43-52(75)61-42(51(74)63-44(28(3)65)45(54)68)26-79-78-25-41(60-47(70)38(56-29(4)66)21-30-12-16-33(17-13-30)64(76)77)50(73)58-39(22-31-14-18-34(67)19-15-31)48(71)59-40(23-32-24-55-36-10-6-5-9-35(32)36)49(72)57-37(46(69)62-43)11-7-8-20-53/h5-6,9-10,12-19,24,27-28,37-44,55,65,67H,7-8,11,20-23,25-26,53H2,1-4H3,(H2,54,68)(H,56,66)(H,57,72)(H,58,73)(H,59,71)(H,60,70)(H,61,75)(H,62,69)(H,63,74)/t28-,37-,38+,39-,40+,41-,42+,43+,44+/m0/s1
PubChem CID57339958
ChEMBLN/A
IUPHARN/A
BindingDB85011
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
555631Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
40416Somatostatin receptor type 3P30936Sstr3Rattus norvegicus (Rat)428
40415Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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