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Ligand

NameBDBM82466
Molecular formulaC55H68ClN9O8
IUPAC name(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3,15-dibenzyl-18-[(4-chlorophenyl)methyl]-6-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-1,4,7,10,13,16,19-heptazacyclohexacosane-2,5,8,11,14,17,20-heptone
Molecular weight1018.65
Hydrogen bond acceptor9
Hydrogen bond donor10
XlogP6.2
Synonymsc[Aha-Phe-p-C1-Phe-D-Trp-Lys-Thr-Phe]
L-362,862
L-362862
Inchi KeyDFYIJRIFNXQXAY-FHTVTOFSSA-N
Inchi IDInChI=1S/C55H68ClN9O8/c1-35(66)49-55(73)64-44(30-36-16-6-4-7-17-36)50(68)58-29-15-3-2-10-23-48(67)60-45(32-38-24-26-40(56)27-25-38)52(70)62-46(31-37-18-8-5-9-19-37)53(71)63-47(33-39-34-59-42-21-12-11-20-41(39)42)54(72)61-43(51(69)65-49)22-13-14-28-57/h4-9,11-12,16-21,24-27,34-35,43-47,49,59,66H,2-3,10,13-15,22-23,28-33,57H2,1H3,(H,58,68)(H,60,67)(H,61,72)(H,62,70)(H,63,71)(H,64,73)(H,65,69)/t35-,43+,44+,45+,46+,47-,49+/m1/s1
PubChem CID57339672
ChEMBLN/A
IUPHARN/A
BindingDB82466
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
59021Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
555695Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
59018Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
59019Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
459766Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
59017Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363
59020Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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