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Ligand

NameCHEMBL3142377
Molecular formulaC49H65N11O11
IUPAC namemethyl (2S)-2-[[(2S)-2-[[2-[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[3-(4-hydroxyphenyl)propanoylamino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-2-oxoazepan-1-yl]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoate
Molecular weight984.125
Hydrogen bond acceptor12
Hydrogen bond donor10
XlogP1.8
SynonymsJMV-1799
Inchi KeySVPHNBMMYLAPKY-AZEINWDJSA-N
Inchi IDInChI=1S/C49H65N11O11/c1-28(2)21-40(49(70)71-4)59-47(68)39(23-32-25-51-27-53-32)56-43(64)26-60-20-8-7-11-37(48(60)69)57-44(65)29(3)54-46(67)38(22-31-24-52-35-10-6-5-9-34(31)35)58-45(66)36(17-18-41(50)62)55-42(63)19-14-30-12-15-33(61)16-13-30/h5-6,9-10,12-13,15-16,24-25,27-29,36-40,52,61H,7-8,11,14,17-23,26H2,1-4H3,(H2,50,62)(H,51,53)(H,54,67)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,68)/t29-,36-,37-,38-,39-,40-/m0/s1
PubChem CID10418476
ChEMBLCHEMBL3142377
IUPHARN/A
BindingDBN/A
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
324380Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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