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Ligand

NameCHEMBL33412
Molecular formulaC48H59N9O6
IUPAC name[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methyl N-[2-[4-[2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]acetyl]piperazin-1-yl]ethyl]carbamate
Molecular weight858.057
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP4.6
Synonyms[2-(4-{2-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propylamino]-acetyl}-piperazin-1-yl)-ethyl]-carbamic acid 3-[3-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-benzyl ester
BDBM50287272
Inchi KeyMCNFWRDFEGILPS-GWHBCOKCSA-N
Inchi IDInChI=1S/C48H59N9O6/c1-54-42-20-7-6-19-41(42)44(38-15-4-2-5-16-38)52-45(46(54)59)53-47(60)51-39-17-10-14-37(31-39)35-63-48(61)50-22-25-55-26-28-57(29-27-55)43(58)33-49-21-12-30-62-40-18-11-13-36(32-40)34-56-23-8-3-9-24-56/h2,4-7,10-11,13-20,31-32,45,49H,3,8-9,12,21-30,33-35H2,1H3,(H,50,61)(H2,51,53,60)/t45-/m0/s1
PubChem CID44281205
ChEMBLCHEMBL33412
IUPHARN/A
BindingDB50287272
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
202192Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
202190Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
202191Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453
202189Histamine H2 receptorP25102Hrh2Rattus norvegicus (Rat)358

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