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Ligand

NameCHEMBL296267
Molecular formulaC41H44N6O6
IUPAC nameN-benzyl-2-[[2-[[2-(3,6-dioxo-2,5-diazatricyclo[6.2.2.02,7]dodecan-4-yl)acetyl]amino]-3-(1-formylindol-3-yl)propanoyl]amino]-N-methyl-3-phenylpropanamide
Molecular weight716.839
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.8
SynonymsL007768
BDBM50045040
N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-diaza-tricyclo[6.2.2.0*2,7*]dodec-4-yl)-acetylamino]-3-(1-formyl-1H-indol-3-yl)-propionylamino]-N-methyl-3-phenyl-propionamide
Inchi KeyCSVWVGRJWUUHQN-UHFFFAOYSA-N
Inchi IDInChI=1S/C41H44N6O6/c1-45(23-27-12-6-3-7-13-27)40(52)33(20-26-10-4-2-5-11-26)43-38(50)32(21-29-24-46(25-48)35-15-9-8-14-31(29)35)42-36(49)22-34-41(53)47-30-18-16-28(17-19-30)37(47)39(51)44-34/h2-15,24-25,28,30,32-34,37H,16-23H2,1H3,(H,42,49)(H,43,50)(H,44,51)
PubChem CID23277709
ChEMBLN/A
IUPHARN/A
BindingDB50045040
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
49806Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
49802Substance-K receptorP21452TACR2Homo sapiens (Human)398
519911Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
558809Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
49801Substance-P receptorP25103TACR1Homo sapiens (Human)407
49805Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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