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Ligand

NameCHEMBL439077
Molecular formulaC63H76N12O12S2
IUPAC name(4R,7S,10S,13S,16S,19S,22R,25S)-13-(4-aminobutyl)-25-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-19-[(4-aminophenyl)methyl]-7,22-dibenzyl-10-[(1S)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid
Molecular weight1257.49
Hydrogen bond acceptor17
Hydrogen bond donor15
XlogP1.4
SynonymsBDBM50136804
Inchi KeyCGKCQZCBEXFSFW-NHHOLAQASA-N
Inchi IDInChI=1S/C63H76N12O12S2/c1-36(76)54-62(85)72-50(30-38-14-6-3-7-15-38)59(82)74-53(63(86)87)35-89-88-34-52(73-55(78)45(66)28-39-21-25-43(77)26-22-39)61(84)70-48(29-37-12-4-2-5-13-37)57(80)69-49(31-40-19-23-42(65)24-20-40)58(81)71-51(32-41-33-67-46-17-9-8-16-44(41)46)60(83)68-47(56(79)75-54)18-10-11-27-64/h2-9,12-17,19-26,33,36,45,47-54,67,76-77H,10-11,18,27-32,34-35,64-66H2,1H3,(H,68,83)(H,69,80)(H,70,84)(H,71,81)(H,72,85)(H,73,78)(H,74,82)(H,75,79)(H,86,87)/t36-,45+,47-,48+,49-,50-,51-,52+,53-,54-/m0/s1
PubChem CID44368190
ChEMBLN/A
IUPHARN/A
BindingDB50136804
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
41385Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
41386Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
41387Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
41384Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
41383Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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