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Ligand

NameCHEMBL439377
Molecular formulaC38H45N7O4
IUPAC name(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-12-(4-methylpiperazin-1-yl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
Molecular weight663.823
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP3.3
SynonymsN/A
Inchi KeyBIVMVCHPCLLNJU-ODRDEDCPSA-N
Inchi IDInChI=1S/C38H45N7O4/c1-44-16-18-45(19-17-44)34-23-35(46)42-33(22-28-24-39-31-15-9-8-14-30(28)31)37(48)43-32(21-27-12-6-3-7-13-27)36(47)41-29(25-40-38(34)49)20-26-10-4-2-5-11-26/h2-15,24,29,32-34,39H,16-23,25H2,1H3,(H,40,49)(H,41,47)(H,42,46)(H,43,48)/t29-,32+,33+,34-/m1/s1
PubChem CID11331994
ChEMBLCHEMBL439377
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
24755Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
24756Substance-K receptorP21452TACR2Homo sapiens (Human)398

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