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Ligand

NameCHEMBL216992
Molecular formulaC60H78N12O11S2
IUPAC name(4R,7S,10R,13S,16S,19S,22R,25R,28S)-28-amino-13,25-bis(4-aminobutyl)-7,19,22-tribenzyl-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacosane-4-carboxylic acid
Molecular weight1207.48
Hydrogen bond acceptor16
Hydrogen bond donor14
XlogP0.6
SynonymsDes-AA1,2,5,12,13-[D-Trp8]SRIF
BDBM50159451
D04ORV
Inchi KeyANCUAJMQRRZZNC-JFMJRBFYSA-N
Inchi IDInChI=1S/C60H78N12O11S2/c1-36(73)51-59(81)70-48(31-39-21-9-4-10-22-39)57(79)71-50(60(82)83)35-85-84-34-42(63)52(74)65-44(25-13-15-27-61)53(75)67-46(29-37-17-5-2-6-18-37)55(77)68-47(30-38-19-7-3-8-20-38)56(78)69-49(32-40-33-64-43-24-12-11-23-41(40)43)58(80)66-45(54(76)72-51)26-14-16-28-62/h2-12,17-24,33,36,42,44-51,64,73H,13-16,25-32,34-35,61-63H2,1H3,(H,65,74)(H,66,80)(H,67,75)(H,68,77)(H,69,78)(H,70,81)(H,71,79)(H,72,76)(H,82,83)/t36-,42-,44-,45+,46-,47+,48+,49+,50+,51-/m1/s1
PubChem CID44388047
ChEMBLCHEMBL216992
IUPHARN/A
BindingDB50159451
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
9455Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
9456Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
9458Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
9459Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
9457Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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