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Ligand

NameBDBM84617
Molecular formulaC60H74ClN11O8
IUPAC name(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide
Molecular weight1112.77
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP6.5
SynonymsL-Alaninamide,D-phenylalanyl-L-alanyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-alanyl-3-(2-naphthalenyl)-(9CI)
BIM 23053
CAS_150155-59-2
Inchi KeyKOTAQQGUEIPDDL-QFVYDIALSA-N
Inchi IDInChI=1S/C60H74ClN11O8/c1-5-46(67-55(75)45(63)30-38-23-26-43(61)27-24-38)56(76)70-50(31-37-15-7-6-8-16-37)58(78)71-51(33-42-34-65-47-20-12-11-19-44(42)47)59(79)68-48(21-13-14-28-62)57(77)72-52(35(2)3)60(80)66-36(4)54(74)69-49(53(64)73)32-39-22-25-40-17-9-10-18-41(40)29-39/h6-12,15-20,22-27,29,34-36,45-46,48-52,65H,5,13-14,21,28,30-33,62-63H2,1-4H3,(H2,64,73)(H,66,80)(H,67,75)(H,68,79)(H,69,74)(H,70,76)(H,71,78)(H,72,77)/t36-,45+,46-,48-,49-,50-,51+,52-/m0/s1
PubChem CID57339783
ChEMBLN/A
IUPHARN/A
BindingDB84617
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
174354Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556163Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
556164Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
174353Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
174350Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
174352Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
174351Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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