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Ligand

NameL-732,138
Molecular formulaC22H18F6N2O3
IUPAC name[3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
Molecular weight472.387
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.7
Synonyms(S)-3,5-bis(trifluoromethyl)benzyl 2-acetamido-3-(1H-indol-3-yl)propanoate
148451-96-1
3,5-Bis(tfm)Bz nactrp
3,5-Bis(trifluoromethyl)benzyl N-acetyltryptophan
A 5330
[ Show all ]
Inchi KeyBYYQYXVAWXAYQC-IBGZPJMESA-N
Inchi IDInChI=1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/m0/s1
PubChem CID132837
ChEMBLCHEMBL22870
IUPHAR9461
BindingDB21016
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
36218Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
36214Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
36219Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
36220Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
467379Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
36213Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
36215Substance-K receptorP21452TACR2Homo sapiens (Human)398
36217Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
36211Substance-P receptorP25103TACR1Homo sapiens (Human)407
36212Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407
36216Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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