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Ligand

NameCHEMBL2112922
Molecular formulaC44H53N7O5
IUPAC name(2S,5S,8S)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-12-(4-piperidin-1-ylpiperidine-1-carbonyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
Molecular weight759.952
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP4.5
SynonymsBDBM50404016
Inchi KeyGLPPYWFTYFOLGJ-DUZVUGCVSA-N
Inchi IDInChI=1S/C44H53N7O5/c52-40-27-36(44(56)51-22-18-34(19-23-51)50-20-10-3-11-21-50)41(53)46-29-33(24-30-12-4-1-5-13-30)47-42(54)38(25-31-14-6-2-7-15-31)49-43(55)39(48-40)26-32-28-45-37-17-9-8-16-35(32)37/h1-2,4-9,12-17,28,33-34,36,38-39,45H,3,10-11,18-27,29H2,(H,46,53)(H,47,54)(H,48,52)(H,49,55)/t33-,36?,38-,39-/m0/s1
PubChem CID71449111
ChEMBLCHEMBL2112922
IUPHARN/A
BindingDB50404016
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
99478Substance-K receptorP21452TACR2Homo sapiens (Human)398
99479Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384

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