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Ligand

NameCHEMBL444639
Molecular formulaC77H99N13O15S2
IUPAC name(4R,7S,10R,13S,16R,19S,22S,25S,28R,31R,34S)-34-amino-31-(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-29-methyl-22-(naphthalen-2-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-19-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carboxylic acid
Molecular weight1510.83
Hydrogen bond acceptor20
Hydrogen bond donor16
XlogP2.9
SynonymsDes-AA1,2,5-[(NalphaMe)Phe6,D-Nal8,IAmp9]SRIF
BDBM50159396
Inchi KeyCKNAFRHTSFRZSD-UHZBRYPMSA-N
Inchi IDInChI=1S/C77H99N13O15S2/c1-45(2)80-41-52-30-28-51(29-31-52)38-59-70(97)88-65(46(3)92)74(101)85-60(37-49-21-11-7-12-22-49)71(98)89-66(47(4)93)75(102)86-62(42-91)72(99)87-63(77(104)105)44-107-106-43-56(79)67(94)81-57(27-17-18-34-78)76(103)90(5)64(40-50-23-13-8-14-24-50)73(100)84-58(36-48-19-9-6-10-20-48)68(95)83-61(69(96)82-59)39-53-32-33-54-25-15-16-26-55(54)35-53/h6-16,19-26,28-33,35,45-47,56-66,80,91-93H,17-18,27,34,36-44,78-79H2,1-5H3,(H,81,94)(H,82,96)(H,83,95)(H,84,100)(H,85,101)(H,86,102)(H,87,99)(H,88,97)(H,89,98)(H,104,105)/t46-,47-,56-,57-,58+,59+,60+,61+,62+,63+,64-,65-,66-/m1/s1
PubChem CID44388035
ChEMBLCHEMBL444639
IUPHARN/A
BindingDB50159396
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
44262Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
44258Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
44260Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
44259Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
44261Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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