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Ligand

NameCHEMBL389432
Molecular formulaC38H45N7O4
IUPAC name(2S,5S,8R,12R)-12-(4-aminopiperidin-1-yl)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
Molecular weight663.823
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP3.1
SynonymsN/A
Inchi KeyGEENKHJJSICYPD-ODRDEDCPSA-N
Inchi IDInChI=1S/C38H45N7O4/c39-28-15-17-45(18-16-28)34-22-35(46)43-33(21-27-23-40-31-14-8-7-13-30(27)31)37(48)44-32(20-26-11-5-2-6-12-26)36(47)42-29(24-41-38(34)49)19-25-9-3-1-4-10-25/h1-14,23,28-29,32-34,40H,15-22,24,39H2,(H,41,49)(H,42,47)(H,43,46)(H,44,48)/t29-,32+,33+,34-/m1/s1
PubChem CID11251301
ChEMBLCHEMBL389432
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
94274Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
94275Substance-K receptorP21452TACR2Homo sapiens (Human)398

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