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Ligand

NameCHEMBL2170389
Molecular formulaC40H54N12O8
IUPAC name(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-hydrazinylacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
Molecular weight830.948
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP-1.4
SynonymsBDBM50396431
Inchi KeyBLKXZINIWUMHPE-XDIGFQIYSA-N
Inchi IDInChI=1S/C40H54N12O8/c41-35(56)29(19-25-11-4-1-5-12-25)50-36(57)28(17-10-18-45-40(42)43)49-38(59)31(21-27-15-8-3-9-16-27)51-39(60)32(24-53)52-37(58)30(20-26-13-6-2-7-14-26)48-34(55)22-46-33(54)23-47-44/h1-9,11-16,28-32,47,53H,10,17-24,44H2,(H2,41,56)(H,46,54)(H,48,55)(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H4,42,43,45)/t28-,29-,30-,31-,32-/m0/s1
PubChem CID71455184
ChEMBLCHEMBL2170389
IUPHARN/A
BindingDB50396431
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
26753Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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