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Ligand

NameBDBM50045036
Molecular formulaC47H58N7O6+
IUPAC name[7-[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]-7-oxoheptyl]azanium
Molecular weight817.024
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP4.4
Synonyms7-(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)-7-oxo-heptyl-ammonium
Inchi KeyPRYCKXQCDGEFFJ-UHFFFAOYSA-O
Inchi IDInChI=1S/C47H57N7O6/c1-52(29-32-16-8-5-9-17-32)46(59)38(26-31-14-6-4-7-15-31)50-44(57)37(27-34-30-53(40-19-12-11-18-36(34)40)42(56)20-10-2-3-13-25-48)49-41(55)28-39-47(60)54-35-23-21-33(22-24-35)43(54)45(58)51-39/h4-9,11-12,14-19,30,33,35,37-39,43H,2-3,10,13,20-29,48H2,1H3,(H,49,55)(H,50,57)(H,51,58)/p+1
PubChem CID44290450
ChEMBLN/A
IUPHARN/A
BindingDB50045036
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
267312Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
267309Substance-K receptorP21452TACR2Homo sapiens (Human)398
520757Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
565609Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
267310Substance-P receptorP25103TACR1Homo sapiens (Human)407
267313Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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