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Ligand

NameCHEMBL1802375
Molecular formulaC47H57N11O9
IUPAC nameN-[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
Molecular weight920.041
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP0.7
SynonymsBDBM50347852
Inchi KeyLSRUOTXCAFYCOJ-LQWITFIISA-N
Inchi IDInChI=1S/C47H57N11O9/c48-41(62)35(24-30-14-5-1-6-15-30)56-43(64)34(22-13-23-51-47(49)50)55-45(66)37(26-32-18-9-3-10-19-32)57-46(67)38(29-59)58-44(65)36(25-31-16-7-2-8-17-31)54-40(61)28-52-39(60)27-53-42(63)33-20-11-4-12-21-33/h1-12,14-21,34-38,59H,13,22-29H2,(H2,48,62)(H,52,60)(H,53,63)(H,54,61)(H,55,66)(H,56,64)(H,57,67)(H,58,65)(H4,49,50,51)/t34-,35-,36-,37-,38-/m0/s1
PubChem CID56683331
ChEMBLCHEMBL1802375
IUPHARN/A
BindingDB50347852
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
195504Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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