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Ligand

NameCHEMBL281082
Molecular formulaC34H36N10O4S2
IUPAC nameN-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-[[2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]acetamide
Molecular weight712.848
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP2.5
SynonymsBDBM50287254
N-{[2-(2-Guanidino-thiazol-4-ylmethylsulfanyl)-ethylcarbamoyl]-methyl}-2-[2-oxo-5-phenyl-3-(3-m-tolyl-ureido)-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetamide
Inchi KeyHTNVOFNARQMQGV-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H36N10O4S2/c1-21-8-7-11-23(16-21)39-33(48)42-30-31(47)44(26-13-6-5-12-25(26)29(41-30)22-9-3-2-4-10-22)18-28(46)38-17-27(45)37-14-15-49-19-24-20-50-34(40-24)43-32(35)36/h2-13,16,20,30H,14-15,17-19H2,1H3,(H,37,45)(H,38,46)(H2,39,42,48)(H4,35,36,40,43)
PubChem CID44279808
ChEMBLCHEMBL281082
IUPHARN/A
BindingDB50287254
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
123662Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
123663Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
123664Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453
123661Histamine H2 receptorP25102Hrh2Rattus norvegicus (Rat)358

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