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Ligand

NameCHEMBL1802377
Molecular formulaC51H67N11O9
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]adamantane-1-carboxamide
Molecular weight978.165
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP1.7
SynonymsBDBM50347854
Inchi KeyFWGGWXSJJJROJY-YPZZCOPESA-N
Inchi IDInChI=1S/C51H67N11O9/c52-44(66)38(22-31-11-4-1-5-12-31)60-45(67)37(17-10-18-55-50(53)54)59-47(69)40(24-33-15-8-3-9-16-33)61-48(70)41(30-63)62-46(68)39(23-32-13-6-2-7-14-32)58-43(65)29-56-42(64)28-57-49(71)51-25-34-19-35(26-51)21-36(20-34)27-51/h1-9,11-16,34-41,63H,10,17-30H2,(H2,52,66)(H,56,64)(H,57,71)(H,58,65)(H,59,69)(H,60,67)(H,61,70)(H,62,68)(H4,53,54,55)/t34?,35?,36?,37-,38-,39-,40-,41-,51?/m0/s1
PubChem CID53363817
ChEMBLCHEMBL1802377
IUPHARN/A
BindingDB50347854
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
88871Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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