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Ligand

NameBDBM85229
Molecular formulaC54H69N11O10S2
IUPAC name(2S)-6-amino-N-[(2R)-1-[[1-[(1-amino-1-oxo-3-sulfanylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1096.33
Hydrogen bond acceptor14
Hydrogen bond donor15
XlogP2.0
SynonymsBIM 23295
Inchi KeyZNQAYSWZHVDWDM-PEHJECIMSA-N
Inchi IDInChI=1S/C54H69N11O10S2/c1-31(66)46(54(75)63-43(25-33-14-6-3-7-15-33)52(73)64-45(30-77)47(57)68)65-49(70)40(18-10-11-23-55)59-53(74)44(27-35-28-58-39-17-9-8-16-37(35)39)62-51(72)42(26-34-19-21-36(67)22-20-34)61-50(71)41(60-48(69)38(56)29-76)24-32-12-4-2-5-13-32/h2-9,12-17,19-22,28,31,38,40-46,58,66-67,76-77H,10-11,18,23-27,29-30,55-56H2,1H3,(H2,57,68)(H,59,74)(H,60,69)(H,61,71)(H,62,72)(H,63,75)(H,64,73)(H,65,70)/t31?,38?,40-,41?,42-,43?,44+,45?,46+/m0/s1
PubChem CID57340026
ChEMBLN/A
IUPHARN/A
BindingDB85229
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
433001Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
557265Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
557266Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
433000Somatostatin receptor type 3P30936Sstr3Rattus norvegicus (Rat)428
432999Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
433002Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363
433003Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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