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Ligand

NameCHEMBL263292
Molecular formulaC58H72N12O13S2
IUPAC name(4R,7S,10R,13S,16R,19S,22R,25S)-13-(4-aminobutyl)-7,22-dibenzyl-25-[[(2R)-2-(carbamoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid
Molecular weight1209.41
Hydrogen bond acceptor16
Hydrogen bond donor15
XlogP0.2
SynonymsBDBM50136808
Inchi KeyAUSJXPHBBAYKTR-WMQOXTIQSA-N
Inchi IDInChI=1S/C58H72N12O13S2/c1-32-49(73)64-45(28-37-29-61-40-18-10-9-17-39(37)40)54(78)63-41(19-11-12-24-59)50(74)70-48(33(2)71)56(80)66-43(26-35-15-7-4-8-16-35)52(76)68-47(57(81)82)31-85-84-30-46(55(79)65-42(51(75)62-32)25-34-13-5-3-6-14-34)67-53(77)44(69-58(60)83)27-36-20-22-38(72)23-21-36/h3-10,13-18,20-23,29,32-33,41-48,61,71-72H,11-12,19,24-28,30-31,59H2,1-2H3,(H,62,75)(H,63,78)(H,64,73)(H,65,79)(H,66,80)(H,67,77)(H,68,76)(H,70,74)(H,81,82)(H3,60,69,83)/t32-,33+,41-,42+,43-,44+,45+,46+,47-,48+/m0/s1
PubChem CID44367958
ChEMBLN/A
IUPHARN/A
BindingDB50136808
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
14941Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
14942Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
14943Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
14940Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
14939Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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