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Ligand

NameCHEMBL3144351
Molecular formulaC44H48N6O8
IUPAC name4-[3-[(2R)-3-[[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-[[2-[(4S,7S)-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
SynonymsN/A
Inchi KeyHLIHPODCOYBKPV-XZDKCQRISA-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)/t29?,31?,33-,34+,35+,40+/m1/s1
PubChem CID9832198
ChEMBLCHEMBL3144351
IUPHARN/A
BindingDBN/A
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
117952Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
117948Substance-K receptorP21452TACR2Homo sapiens (Human)398
117949Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
117951Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
117947Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407
117950Substance-P receptorP25103TACR1Homo sapiens (Human)407

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