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Ligand

NameCHEMBL1802376
Molecular formulaC48H59N11O10
IUPAC namebenzyl N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(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]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
Molecular weight950.067
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP1.0
SynonymsBDBM50347853
Inchi KeyKGXUUMWPGXSHMV-MQDBWYGVSA-N
Inchi IDInChI=1S/C48H59N11O10/c49-42(63)36(24-31-14-5-1-6-15-31)57-43(64)35(22-13-23-52-47(50)51)56-45(66)38(26-33-18-9-3-10-19-33)58-46(67)39(29-60)59-44(65)37(25-32-16-7-2-8-17-32)55-41(62)28-53-40(61)27-54-48(68)69-30-34-20-11-4-12-21-34/h1-12,14-21,35-39,60H,13,22-30H2,(H2,49,63)(H,53,61)(H,54,68)(H,55,62)(H,56,66)(H,57,64)(H,58,67)(H,59,65)(H4,50,51,52)/t35-,36-,37-,38-,39-/m0/s1
PubChem CID56679996
ChEMBLCHEMBL1802376
IUPHARN/A
BindingDB50347853
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
168926Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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