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Ligand

NameBDBM50006885
Molecular formulaC36H43N9O5
IUPAC name2-adamantyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(2S)-2-[[4-oxo-4-(2H-tetrazol-5-ylamino)butanoyl]amino]-2-phenylethyl]amino]propan-2-yl]carbamate
Molecular weight681.798
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP3.5
Synonyms(2-(1H-Indol-3-yl)-1-methyl-1-{2-phenyl-2-[3-(5H-tetrazol-5-ylcarbamoyl)-propionylamino]-ethylcarbamoyl}-ethyl)-carbamic acid adamantan-2-yl ester (hydrate)
Inchi KeyDHCPCOHAOIIJNV-ODUTVYEMSA-N
Inchi IDInChI=1S/C36H43N9O5/c1-36(18-26-19-37-28-10-6-5-9-27(26)28,41-35(49)50-32-24-14-21-13-22(16-24)17-25(32)15-21)33(48)38-20-29(23-7-3-2-4-8-23)39-30(46)11-12-31(47)40-34-42-44-45-43-34/h2-10,19,21-22,24-25,29,32,37H,11-18,20H2,1H3,(H,38,48)(H,39,46)(H,41,49)(H2,40,42,43,44,45,47)/t21?,22?,24?,25?,29-,32?,36?/m1/s1
PubChem CID91928746
ChEMBLN/A
IUPHARN/A
BindingDB50006885
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
59859Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
59860Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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