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Ligand

NameCHEMBL1794043
Molecular formulaC60H71N13O9S2
IUPAC name(4S,7R,10S,13R,19R)-10-(4-aminobutyl)-N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-19-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-7-[(1S)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-11-methyl-6,9,12,15,18-pentaoxo-16-(pyridin-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1182.43
Hydrogen bond acceptor14
Hydrogen bond donor12
XlogP3.3
SynonymsBDBM50370051
Inchi KeyCAOPMDVFFKIBHG-STOOXOMESA-N
Inchi IDInChI=1S/C60H71N13O9S2/c1-34(74)52-59(81)71-50(56(78)67-46(53(63)75)27-39-30-65-44-17-7-5-15-41(39)44)33-84-83-32-49(70-54(76)43(62)25-35-20-21-37-13-3-4-14-38(37)24-35)57(79)68-47(26-36-12-11-23-64-29-36)55(77)69-48(28-40-31-66-45-18-8-6-16-42(40)45)60(82)73(2)51(58(80)72-52)19-9-10-22-61/h3-8,11-18,20-21,23-24,29-31,34,43,46-52,65-66,74H,9-10,19,22,25-28,32-33,61-62H2,1-2H3,(H2,63,75)(H,67,78)(H,68,79)(H,69,77)(H,70,76)(H,71,81)(H,72,80)/t34-,43?,46?,47?,48+,49-,50+,51-,52+/m0/s1
PubChem CID56678422
ChEMBLN/A
IUPHARN/A
BindingDB50370051
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
37388Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
37386Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
37387Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
37390Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
37389Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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