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Ligand

NameCHEMBL2170399
Molecular formulaC43H60N12O7
IUPAC name(2S)-2-[[(2S)-2-[[2-[[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-butylamino]acetyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight857.03
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP1.0
SynonymsBDBM50396426
Inchi KeyWUEUJMYZZQSJPB-BBACVFHCSA-N
Inchi IDInChI=1S/C43H60N12O7/c1-2-3-22-55(54-42(62)35(25-31-18-11-6-12-19-31)50-37(57)27-49-36(56)26-44)28-38(58)51-34(24-30-16-9-5-10-17-30)41(61)52-32(20-13-21-48-43(46)47)40(60)53-33(39(45)59)23-29-14-7-4-8-15-29/h4-12,14-19,32-35H,2-3,13,20-28,44H2,1H3,(H2,45,59)(H,49,56)(H,50,57)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H4,46,47,48)/t32-,33-,34-,35-/m0/s1
PubChem CID71451642
ChEMBLCHEMBL2170399
IUPHARN/A
BindingDB50396426
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
382526Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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