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Ligand

NameCHEMBL1802364
Molecular formulaC43H59N11O7
IUPAC name(2S)-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]-4-methylpentanamide
Molecular weight842.015
Hydrogen bond acceptor9
Hydrogen bond donor10
XlogP1.2
SynonymsBDBM50347836
Inchi KeyIWEGVYCMWNRHRJ-ZZTWKDBPSA-N
Inchi IDInChI=1S/C43H59N11O7/c1-27(2)21-33(53-41(60)34(23-29-15-8-4-9-16-29)50-37(56)26-49-36(55)25-44)40(59)54-35(24-30-17-10-5-11-18-30)42(61)51-31(19-12-20-48-43(46)47)39(58)52-32(38(45)57)22-28-13-6-3-7-14-28/h3-11,13-18,27,31-35H,12,19-26,44H2,1-2H3,(H2,45,57)(H,49,55)(H,50,56)(H,51,61)(H,52,58)(H,53,60)(H,54,59)(H4,46,47,48)/t31-,32-,33-,34-,35-/m0/s1
PubChem CID56676708
ChEMBLCHEMBL1802364
IUPHARN/A
BindingDB50347836
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
143257Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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