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Ligand

NameCHEMBL86879
Molecular formulaC39H44N4O5S
IUPAC name2-adamantyl N-[(2R)-1-[[(2S)-2-[[2-(2-hydroxyphenyl)sulfanylacetyl]amino]-2-phenylethyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate
Molecular weight680.864
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP6.7
SynonymsN/A
Inchi KeyALGWEUYDYJLGAZ-STQGUAIYSA-N
Inchi IDInChI=1S/C39H44N4O5S/c1-39(20-29-21-40-31-12-6-5-11-30(29)31,43-38(47)48-36-27-16-24-15-25(18-27)19-28(36)17-24)37(46)41-22-32(26-9-3-2-4-10-26)42-35(45)23-49-34-14-8-7-13-33(34)44/h2-14,21,24-25,27-28,32,36,40,44H,15-20,22-23H2,1H3,(H,41,46)(H,42,45)(H,43,47)/t24?,25?,27?,28?,32-,36?,39-/m1/s1
PubChem CID73355867
ChEMBLCHEMBL86879
IUPHARN/A
BindingDB50006887
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8259Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
8258Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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