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Ligand

NameCHEMBL441840
Molecular formulaC33H43N5O5
IUPAC nametert-butyl N-[(2R)-1-[[(2S)-1-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight589.737
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP4.8
Synonyms[(R)-1-[(S)-1-((S)-3-Benzyl-5-oxo-piperazine-1-carbonyl)-3-methyl-butylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester
BDBM50284157
Inchi KeyNKQUZOWPOCJXRE-VCTRFXNDSA-N
Inchi IDInChI=1S/C33H43N5O5/c1-21(2)15-28(31(41)38-19-24(35-29(39)20-38)16-22-11-7-6-8-12-22)36-30(40)27(37-32(42)43-33(3,4)5)17-23-18-34-26-14-10-9-13-25(23)26/h6-14,18,21,24,27-28,34H,15-17,19-20H2,1-5H3,(H,35,39)(H,36,40)(H,37,42)/t24-,27+,28-/m0/s1
PubChem CID44382220
ChEMBLCHEMBL441840
IUPHARN/A
BindingDB50284157
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
225745Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
225746Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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