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Ligand

NameCHEMBL3350185
Molecular formulaC62H76N12O12
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1181.36
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP4.5
SynonymsBDBM85008
BIM 23066
BIM-23066
Inchi KeyUULQBXHJYAJQGW-WMJDRJGJSA-N
Inchi IDInChI=1S/C62H76N12O12/c1-36(2)53(62(84)71-51(31-39-16-8-5-9-17-39)61(83)73-54(37(3)75)55(65)77)72-57(79)48(20-12-13-29-63)67-60(82)52(34-42-35-66-47-19-11-10-18-45(42)47)70-59(81)50(33-41-23-27-44(76)28-24-41)69-58(80)49(32-40-21-25-43(26-22-40)74(85)86)68-56(78)46(64)30-38-14-6-4-7-15-38/h4-11,14-19,21-28,35-37,46,48-54,66,75-76H,12-13,20,29-34,63-64H2,1-3H3,(H2,65,77)(H,67,82)(H,68,78)(H,69,80)(H,70,81)(H,71,84)(H,72,79)(H,73,83)/t37-,46-,48+,49+,50+,51+,52-,53+,54+/m1/s1
PubChem CID16209188
ChEMBLN/A
IUPHARN/A
BindingDB85008
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
345924Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556896Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
345925Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
345922Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
345923Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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