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Ligand

NameCHEMBL265987
Molecular formulaC43H49N7O5
IUPAC name3-[[2-[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]acetyl]amino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
Molecular weight743.909
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP4.6
SynonymsBDBM50287234
3-(2-{3-[3-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-phenyl}-acetylamino)-N-[3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-propionamide
Inchi KeyFOKCUERTAYBKPN-RWYGWLOXSA-N
Inchi IDInChI=1S/C43H49N7O5/c1-49-37-20-7-6-19-36(37)40(33-15-4-2-5-16-33)47-41(42(49)53)48-43(54)46-34-17-10-13-31(27-34)29-39(52)45-23-21-38(51)44-22-12-26-55-35-18-11-14-32(28-35)30-50-24-8-3-9-25-50/h2,4-7,10-11,13-20,27-28,41H,3,8-9,12,21-26,29-30H2,1H3,(H,44,51)(H,45,52)(H2,46,48,54)/t41-/m0/s1
PubChem CID44279811
ChEMBLCHEMBL265987
IUPHARN/A
BindingDB50287234
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
83343Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
83342Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453
83344Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
83341Histamine H2 receptorP25102Hrh2Rattus norvegicus (Rat)358

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