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Ligand

NameCHEMBL1802366
Molecular formulaC43H59N11O7
IUPAC name(2S,3R)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-N-[(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]-3-methylpentanamide
Molecular weight842.015
Hydrogen bond acceptor9
Hydrogen bond donor10
XlogP1.2
SynonymsBDBM50347838
Inchi KeyGDRXVOHKHQJQLQ-BRBDGUISSA-N
Inchi IDInChI=1S/C43H59N11O7/c1-3-27(2)37(54-41(60)33(23-29-16-9-5-10-17-29)50-36(56)26-49-35(55)25-44)42(61)53-34(24-30-18-11-6-12-19-30)40(59)51-31(20-13-21-48-43(46)47)39(58)52-32(38(45)57)22-28-14-7-4-8-15-28/h4-12,14-19,27,31-34,37H,3,13,20-26,44H2,1-2H3,(H2,45,57)(H,49,55)(H,50,56)(H,51,59)(H,52,58)(H,53,61)(H,54,60)(H4,46,47,48)/t27-,31+,32+,33+,34+,37+/m1/s1
PubChem CID56666432
ChEMBLCHEMBL1802366
IUPHARN/A
BindingDB50347838
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
93939Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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