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Ligand

NameCHEMBL297376
Molecular formulaC44H48N6O8
IUPAC name4-[3-[3-[[1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-[[2-(3,6-dioxo-2,5-diazatricyclo[6.2.2.02,7]dodecan-4-yl)acetyl]amino]-3-oxopropyl]indol-1-yl]-4-oxobutanoic acid
Molecular weight788.902
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP3.2
Synonyms4-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethylcarbamoyl]-2-[2-(3,6-dioxo-2,5-diaza-tricyclo[6.2.2.0*2,7*]dodec-4-yl)-acetylamino]-ethyl}-indol-1-yl)-4-oxo-butyric acid
BDBM50045035
Inchi KeyHLIHPODCOYBKPV-UHFFFAOYSA-N
Inchi IDInChI=1S/C44H48N6O8/c1-48(25-28-12-6-3-7-13-28)43(57)34(22-27-10-4-2-5-11-27)46-41(55)33(23-30-26-49(38(52)20-21-39(53)54)36-15-9-8-14-32(30)36)45-37(51)24-35-44(58)50-31-18-16-29(17-19-31)40(50)42(56)47-35/h2-15,26,29,31,33-35,40H,16-25H2,1H3,(H,45,51)(H,46,55)(H,47,56)(H,53,54)
PubChem CID23277768
ChEMBLN/A
IUPHARN/A
BindingDB50045035
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
117946Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
117941Substance-K receptorP21452TACR2Homo sapiens (Human)398
520191Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
560949Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
117942Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407
117944Substance-P receptorP25103TACR1Homo sapiens (Human)407

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