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Ligand

NameMEN-11558
Molecular formulaC33H35N5O4
IUPAC name(2S,5S,8R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
Molecular weight565.674
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP3.3
SynonymsCHEMBL435324
BDBM50404020
Inchi KeyPRRYSNSLFNBYDL-IGBKUBFESA-N
Inchi IDInChI=1S/C33H35N5O4/c39-30-15-16-31(40)37-29(19-24-20-34-27-14-8-7-13-26(24)27)33(42)38-28(18-23-11-5-2-6-12-23)32(41)36-25(21-35-30)17-22-9-3-1-4-10-22/h1-14,20,25,28-29,34H,15-19,21H2,(H,35,39)(H,36,41)(H,37,40)(H,38,42)/t25-,28+,29+/m1/s1
PubChem CID9829402
ChEMBLCHEMBL435324
IUPHARN/A
BindingDB50404020
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
267150Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
267145Substance-K receptorP21452TACR2Homo sapiens (Human)398
267146Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
267147Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
267149Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
267148Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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