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Ligand

NameBDBM84616
Molecular formulaC47H62ClN9O8
IUPAC name(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]butan-2-yl]hexanamide
Molecular weight916.518
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP2.5
SynonymsL-Alaninamide,4-chloro-D-phenylalanyl-L-alanyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-alanyl-3-(2-naphthalenyl)-(9CI)
BIM 23069
CAS_150155-67-2
Inchi KeyLBQRHIOWEQVTQJ-LERJVNOYSA-N
Inchi IDInChI=1S/C47H62ClN9O8/c1-26(2)41(47(65)52-27(3)29(5)58)57-44(62)38(12-8-9-21-49)54-46(64)40(24-32-25-51-37-11-7-6-10-35(32)37)56-45(63)39(23-31-15-19-34(59)20-16-31)55-42(60)28(4)53-43(61)36(50)22-30-13-17-33(48)18-14-30/h6-7,10-11,13-20,25-28,36,38-41,51,59H,8-9,12,21-24,49-50H2,1-5H3,(H,52,65)(H,53,61)(H,54,64)(H,55,60)(H,56,63)(H,57,62)/t27-,28-,36+,38-,39-,40+,41-/m0/s1
PubChem CID57339782
ChEMBLN/A
IUPHARN/A
BindingDB84616
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.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
183479Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556214Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
556215Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
183481Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
183480Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
183482Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
183483Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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