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Ligand

NameBIM 23056
Molecular formulaC71H81N11O9
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-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-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1232.5
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP8.1
SynonymsBIM23056
D-Alaninamide,D-phenylalanyl-L-phenylalanyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-phenylalanyl-3-(2-naphthalenyl)-
SCHEMBL12912367
CAS_150155-61-6
AKOS024456811
[ Show all ]
Inchi KeyVPTPBEUWKCLZGU-OOSWLFMASA-N
Inchi IDInChI=1S/C71H81N11O9/c1-44(2)63(71(91)81-61(39-47-22-10-5-11-23-47)67(87)77-58(64(74)84)41-49-29-32-50-24-12-13-25-51(50)36-49)82-66(86)57(28-16-17-35-72)76-70(90)62(42-52-43-75-56-27-15-14-26-54(52)56)80-69(89)60(40-48-30-33-53(83)34-31-48)79-68(88)59(38-46-20-8-4-9-21-46)78-65(85)55(73)37-45-18-6-3-7-19-45/h3-15,18-27,29-34,36,43-44,55,57-63,75,83H,16-17,28,35,37-42,72-73H2,1-2H3,(H2,74,84)(H,76,90)(H,77,87)(H,78,85)(H,79,88)(H,80,89)(H,81,91)(H,82,86)/t55-,57+,58-,59+,60+,61+,62-,63+/m1/s1
PubChem CID16133799
ChEMBLN/A
IUPHARN/A
BindingDB82256
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 13
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
361198Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
361199Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
556977Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
556978Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
556979Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
361201Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
361202Somatostatin receptor type 3P30936Sstr3Rattus norvegicus (Rat)428
361204Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
361196Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
361203Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
462328Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
361197Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364
361200Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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