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Ligand

NameCHEMBL1802378
Molecular formulaC45H55N11O10
IUPAC nameN-[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]furan-2-carboxamide
Molecular weight910.002
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP0.1
SynonymsBDBM50347855
Inchi KeySGHOQWFLPPQZOT-ZZTWKDBPSA-N
Inchi IDInChI=1S/C45H55N11O10/c46-39(60)32(22-28-12-4-1-5-13-28)54-40(61)31(18-10-20-49-45(47)48)53-42(63)34(24-30-16-8-3-9-17-30)55-43(64)35(27-57)56-41(62)33(23-29-14-6-2-7-15-29)52-38(59)26-50-37(58)25-51-44(65)36-19-11-21-66-36/h1-9,11-17,19,21,31-35,57H,10,18,20,22-27H2,(H2,46,60)(H,50,58)(H,51,65)(H,52,59)(H,53,63)(H,54,61)(H,55,64)(H,56,62)(H4,47,48,49)/t31-,32-,33-,34-,35-/m0/s1
PubChem CID53363897
ChEMBLCHEMBL1802378
IUPHARN/A
BindingDB50347855
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
313615Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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