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Ligand

NameCHEMBL436451
Molecular formulaC30H37N5O5
IUPAC name2-[(2S,5S)-1-[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]-5-benzyl-3-oxopiperazin-2-yl]acetic acid
Molecular weight547.656
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP0.4
Synonyms((2S,5S)-1-{(S)-2-[(S)-2-Amino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoyl}-5-benzyl-3-oxo-piperazin-2-yl)-acetic acid
BDBM50284145
Inchi KeyLEADELFIIAEUSL-WVADOKLZSA-N
Inchi IDInChI=1S/C30H37N5O5/c1-18(2)12-25(34-28(38)23(31)14-20-16-32-24-11-7-6-10-22(20)24)30(40)35-17-21(13-19-8-4-3-5-9-19)33-29(39)26(35)15-27(36)37/h3-11,16,18,21,23,25-26,32H,12-15,17,31H2,1-2H3,(H,33,39)(H,34,38)(H,36,37)/t21-,23-,25-,26-/m0/s1
PubChem CID44382619
ChEMBLCHEMBL436451
IUPHARN/A
BindingDB50284145
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
185140Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
185139Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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