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Ligand

Nameseglitide
Molecular formulaC44H56N8O7
IUPAC name(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3-benzyl-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,18-dimethyl-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular weight808.981
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP3.9
Synonyms81377-02-8
UNII-5P57R7IR6J
MK 678
MK-678
5P57R7IR6J
[ Show all ]
Inchi KeyNPJIOCBFOAHEDO-AVWFULIKSA-N
Inchi IDInChI=1S/C44H56N8O7/c1-26(2)38-43(58)50-37(23-28-12-6-5-7-13-28)44(59)52(4)27(3)39(54)48-35(22-29-17-19-31(53)20-18-29)41(56)49-36(24-30-25-46-33-15-9-8-14-32(30)33)42(57)47-34(40(55)51-38)16-10-11-21-45/h5-9,12-15,17-20,25-27,34-38,46,53H,10-11,16,21-24,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,58)(H,51,55)/t27-,34-,35-,36+,37-,38-/m0/s1
PubChem CID5311430
ChEMBLCHEMBL311695
IUPHAR2051
BindingDB50051568
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.

Known GPCRs

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Total entries: 12
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
228977Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
228981Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
228984Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
554413Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
228978Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
554414Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
554415Somatostatin receptor type 3P30936Sstr3Rattus norvegicus (Rat)428
228975Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
228976Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364
554412Somatostatin receptor type 5O08858Sstr5Mus musculus (Mouse)362
554416Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363
228985Substance-P receptorP25103TACR1Homo sapiens (Human)407

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