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Ligand

NameCHEMBL406260
Molecular formulaC58H70N12O8S2
IUPAC name(4R,7S,10R,13S,16R,19S)-10-(4-aminobutyl)-N-[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-19-[[(2S)-2-amino-3-phenylpropanoyl]amino]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-16-(pyridin-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1127.39
Hydrogen bond acceptor13
Hydrogen bond donor11
XlogP4.0
SynonymsH-Phe-cyclo[DCys-Pal-DTrp-Lys-Val-Cys]-Nal-NH2
BDBM50063829
Inchi KeyAXVKTGVAIQSFOE-LOHZWWSOSA-N
Inchi IDInChI=1S/C58H70N12O8S2/c1-34(2)50-58(78)69-49(56(76)65-45(51(61)71)27-36-21-22-38-16-6-7-17-39(38)25-36)33-80-79-32-48(68-52(72)42(60)26-35-13-4-3-5-14-35)57(77)66-46(28-37-15-12-24-62-30-37)54(74)67-47(29-40-31-63-43-19-9-8-18-41(40)43)55(75)64-44(53(73)70-50)20-10-11-23-59/h3-9,12-19,21-22,24-25,30-31,34,42,44-50,63H,10-11,20,23,26-29,32-33,59-60H2,1-2H3,(H2,61,71)(H,64,75)(H,65,76)(H,66,77)(H,67,74)(H,68,72)(H,69,78)(H,70,73)/t42-,44+,45-,46+,47-,48+,49-,50-/m0/s1
PubChem CID44270291
ChEMBLN/A
IUPHARN/A
BindingDB50063829
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
17120Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
17117Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
17116Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
17119Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
17118Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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