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Ligand

NameCHEMBL1802479
Molecular formulaC49H63N11O8
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-[benzyl(ethyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight934.112
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP1.3
SynonymsBDBM50347847
Inchi KeyVUDVXJKYZGQRLZ-LSLOANPCSA-N
Inchi IDInChI=1S/C49H63N11O8/c1-2-60(31-36-22-13-6-14-23-36)48(68)40(28-35-20-11-5-12-21-35)58-44(64)37(24-15-25-53-49(51)52)56-46(66)39(27-34-18-9-4-10-19-34)57-47(67)41(32-61)59-45(65)38(26-33-16-7-3-8-17-33)55-43(63)30-54-42(62)29-50/h3-14,16-23,37-41,61H,2,15,24-32,50H2,1H3,(H,54,62)(H,55,63)(H,56,66)(H,57,67)(H,58,64)(H,59,65)(H4,51,52,53)/t37-,38-,39-,40-,41-/m0/s1
PubChem CID53363725
ChEMBLCHEMBL1802479
IUPHARN/A
BindingDB50347847
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
364400Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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