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Ligand

NameCHEMBL1802374
Molecular formulaC45H61N11O9
IUPAC name(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
Molecular weight900.051
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP0.5
SynonymsBDBM50347851
Inchi KeyGUTACSUAVHYKRB-ZZTWKDBPSA-N
Inchi IDInChI=1S/C45H61N11O9/c1-45(2,3)43(65)51-25-36(58)50-26-37(59)52-33(23-29-16-9-5-10-17-29)40(62)56-35(27-57)42(64)55-34(24-30-18-11-6-12-19-30)41(63)53-31(20-13-21-49-44(47)48)39(61)54-32(38(46)60)22-28-14-7-4-8-15-28/h4-12,14-19,31-35,57H,13,20-27H2,1-3H3,(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 CID56662955
ChEMBLCHEMBL1802374
IUPHARN/A
BindingDB50347851
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
105901Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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