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Ligand

NameCHEMBL224009
Molecular formulaC43H53N7O4
IUPAC name(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-12-(4-piperidin-1-ylpiperidin-1-yl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
Molecular weight731.942
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP4.9
SynonymsN/A
Inchi KeyDVTHAZNTRBRTQH-QJMCPCMJSA-N
Inchi IDInChI=1S/C43H53N7O4/c51-40-27-39(50-22-18-34(19-23-50)49-20-10-3-11-21-49)43(54)45-29-33(24-30-12-4-1-5-13-30)46-41(52)37(25-31-14-6-2-7-15-31)48-42(53)38(47-40)26-32-28-44-36-17-9-8-16-35(32)36/h1-2,4-9,12-17,28,33-34,37-39,44H,3,10-11,18-27,29H2,(H,45,54)(H,46,52)(H,47,51)(H,48,53)/t33-,37+,38+,39-/m1/s1
PubChem CID11205343
ChEMBLCHEMBL224009
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
70243Substance-K receptorP21452TACR2Homo sapiens (Human)398
70244Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390

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