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Ligand

NamePeptide analogue, 19
Molecular formulaC42H52FN9O5
IUPAC nameN-[(2S)-1-[[(E,4R)-4-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-6-methylhept-2-enyl]amino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
Molecular weight781.934
Hydrogen bond acceptor7
Hydrogen bond donor8
XlogP3.4
SynonymsSCHEMBL12891663
BDBM26339
FTM-145
(2R,3E)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-5-[(2S)-2-[(4-fluorophenyl)formamido]-3-phenylpropanamido]-2-(2-methylpropyl)pent-3-enamide
CHEMBL472833
Inchi KeyOXILFLCUDLSQBZ-WHECAKDPSA-N
Inchi IDInChI=1S/C42H52FN9O5/c1-26(2)22-29(12-8-20-47-40(56)36(23-27-10-4-3-5-11-27)52-38(54)28-16-18-31(43)19-17-28)39(55)50-34(15-9-21-48-42(45)46)41(57)51-35(37(44)53)24-30-25-49-33-14-7-6-13-32(30)33/h3-8,10-14,16-19,25-26,29,34-36,49H,9,15,20-24H2,1-2H3,(H2,44,53)(H,47,56)(H,50,55)(H,51,57)(H,52,54)(H4,45,46,48)/b12-8+/t29-,34-,35-,36-/m0/s1
PubChem CID25138123
ChEMBLCHEMBL472833
IUPHARN/A
BindingDB26339
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
252537KiSS-1 receptorQ969F8KISS1RHomo sapiens (Human)398
252536Neuropeptide FF receptor 1Q9GZQ6NPFFR1Homo sapiens (Human)430
252534Neuropeptide FF receptor 2Q9Y5X5NPFFR2Homo sapiens (Human)522
252535Prolactin-releasing peptide receptorP49683PRLHRHomo sapiens (Human)370

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