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Ligand

NameCHEMBL2170398
Molecular formulaC42H58N12O7
IUPAC name(2S)-2-[[(2S)-2-[[2-[[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-propylamino]acetyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight843.003
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP0.6
SynonymsBDBM50396416
Inchi KeyVCYUFBCVIMTRMR-CUPIEXAXSA-N
Inchi IDInChI=1S/C42H58N12O7/c1-2-21-54(53-41(61)34(24-30-17-10-5-11-18-30)49-36(56)26-48-35(55)25-43)27-37(57)50-33(23-29-15-8-4-9-16-29)40(60)51-31(19-12-20-47-42(45)46)39(59)52-32(38(44)58)22-28-13-6-3-7-14-28/h3-11,13-18,31-34H,2,12,19-27,43H2,1H3,(H2,44,58)(H,48,55)(H,49,56)(H,50,57)(H,51,60)(H,52,59)(H,53,61)(H4,45,46,47)/t31-,32-,33-,34-/m0/s1
PubChem CID71458842
ChEMBLCHEMBL2170398
IUPHARN/A
BindingDB50396416
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
352025Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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