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Ligand

NameCHEMBL3142379
Molecular formulaC48H64N12O11
IUPAC name(2S)-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]-2-[3-(4-hydroxyphenyl)propanoylamino]pentanediamide
Molecular weight985.113
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogP0.7
SynonymsN/A
Inchi KeySVDHLNPEHKDLER-GERVPSNRSA-N
Inchi IDInChI=1S/C48H64N12O11/c1-27(2)20-37(47(69)59-71)57-46(68)39(22-31-24-50-26-52-31)55-42(64)25-60-19-7-6-10-36(48(60)70)56-43(65)28(3)53-45(67)38(21-30-23-51-34-9-5-4-8-33(30)34)58-44(66)35(16-17-40(49)62)54-41(63)18-13-29-11-14-32(61)15-12-29/h4-5,8-9,11-12,14-15,23-24,26-28,35-39,51,61,71H,6-7,10,13,16-22,25H2,1-3H3,(H2,49,62)(H,50,52)(H,53,67)(H,54,63)(H,55,64)(H,56,65)(H,57,68)(H,58,66)(H,59,69)/t28-,35-,36-,37+,38-,39-/m0/s1
PubChem CID90662938
ChEMBLCHEMBL3142379
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
324039Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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