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Ligand

NameCHEMBL3142380
Molecular formulaC48H65N13O10
IUPAC name(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(3S)-1-[2-[[(2S)-1-[[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-oxoazepan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide
Molecular weight984.129
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogP0.3
SynonymsN/A
Inchi KeyFARKOIUETYEQIK-IUIIMGSPSA-N
Inchi IDInChI=1S/C48H65N13O10/c1-27(2)19-37(47(69)60-71)58-46(68)39(22-31-24-51-26-53-31)55-41(63)25-61-18-10-9-15-36(48(61)70)57-42(64)28(3)54-45(67)38(21-30-23-52-34-14-8-7-13-32(30)34)59-44(66)35(16-17-40(50)62)56-43(65)33(49)20-29-11-5-4-6-12-29/h4-8,11-14,23-24,26-28,33,35-39,52,71H,9-10,15-22,25,49H2,1-3H3,(H2,50,62)(H,51,53)(H,54,67)(H,55,63)(H,56,65)(H,57,64)(H,58,68)(H,59,66)(H,60,69)/t28-,33+,35-,36-,37+,38-,39-/m0/s1
PubChem CID90662939
ChEMBLCHEMBL3142380
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
73669Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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