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Ligand

NameCHEMBL2170402
Molecular formulaC44H62N12O6
IUPAC name(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2S)-3-phenyl-2-[[2-[[[(2S)-3-phenyl-2-[(2-piperazin-1-ylacetyl)amino]propanoyl]amino]-propylamino]acetyl]amino]propanoyl]amino]pentanamide
Molecular weight855.058
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP1.6
SynonymsBDBM50396423
Inchi KeyQOWHQKBNROMXRT-BQYLNSIHSA-N
Inchi IDInChI=1S/C44H62N12O6/c1-2-23-56(54-43(62)37(28-33-17-10-5-11-18-33)51-38(57)29-55-24-21-48-22-25-55)30-39(58)50-36(27-32-15-8-4-9-16-32)42(61)52-34(19-12-20-49-44(46)47)41(60)53-35(40(45)59)26-31-13-6-3-7-14-31/h3-11,13-18,34-37,48H,2,12,19-30H2,1H3,(H2,45,59)(H,50,58)(H,51,57)(H,52,61)(H,53,60)(H,54,62)(H4,46,47,49)/t34-,35-,36-,37-/m0/s1
PubChem CID71456975
ChEMBLCHEMBL2170402
IUPHARN/A
BindingDB50396423
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
283427Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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