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Ligand

NameCHEMBL2170397
Molecular formulaC40H54N12O7
IUPAC name(2S)-2-[[(2S)-2-[[2-[[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-methylamino]acetyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight814.949
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP-0.3
SynonymsBDBM50396427
Inchi KeyDIPAGBRCRMJVQW-YDPTYEFTSA-N
Inchi IDInChI=1S/C40H54N12O7/c1-52(51-39(59)32(22-28-16-9-4-10-17-28)47-34(54)24-46-33(53)23-41)25-35(55)48-31(21-27-14-7-3-8-15-27)38(58)49-29(18-11-19-45-40(43)44)37(57)50-30(36(42)56)20-26-12-5-2-6-13-26/h2-10,12-17,29-32H,11,18-25,41H2,1H3,(H2,42,56)(H,46,53)(H,47,54)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H4,43,44,45)/t29-,30-,31-,32-/m0/s1
PubChem CID71462362
ChEMBLCHEMBL2170397
IUPHARN/A
BindingDB50396427
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
60943Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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