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Ligand

NameCHEMBL2170249
Molecular formulaC42H57N11O7
IUPAC name(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-3-phenyl-2-[(2-piperazin-1-ylacetyl)amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
Molecular weight827.988
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP-0.2
SynonymsBDBM50396421
Inchi KeyOJNDXWSKBJQVMP-ZZTWKDBPSA-N
Inchi IDInChI=1S/C42H57N11O7/c43-37(56)32(23-28-11-4-1-5-12-28)50-38(57)31(17-10-18-47-42(44)45)49-40(59)34(25-30-15-8-3-9-16-30)51-41(60)35(27-54)52-39(58)33(24-29-13-6-2-7-14-29)48-36(55)26-53-21-19-46-20-22-53/h1-9,11-16,31-35,46,54H,10,17-27H2,(H2,43,56)(H,48,55)(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H4,44,45,47)/t31-,32-,33-,34-,35-/m0/s1
PubChem CID71456967
ChEMBLCHEMBL2170249
IUPHARN/A
BindingDB50396421
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
242918Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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