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Ligand

NameCHEMBL285586
Molecular formulaC36H40N10O5S2
IUPAC nameN-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-3-[[2-[3-[1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenoxy]acetyl]amino]propanamide
Molecular weight756.901
Hydrogen bond acceptor10
Hydrogen bond donor6
XlogP2.4
SynonymsBDBM50287245
N-[2-(2-Guanidino-thiazol-4-ylmethylsulfanyl)-ethyl]-3-(2-{3-[1-methyl-2-oxo-3-(3-m-tolyl-ureido)-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl]-phenoxy}-acetylamino)-propionamide
Inchi KeyZDIJKBDHDJOKNO-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H40N10O5S2/c1-22-7-5-9-24(17-22)41-35(50)44-32-33(49)46(2)28-12-4-3-11-27(28)31(43-32)23-8-6-10-26(18-23)51-19-30(48)39-14-13-29(47)40-15-16-52-20-25-21-53-36(42-25)45-34(37)38/h3-12,17-18,21,32H,13-16,19-20H2,1-2H3,(H,39,48)(H,40,47)(H2,41,44,50)(H4,37,38,42,45)
PubChem CID44280215
ChEMBLCHEMBL285586
IUPHARN/A
BindingDB50287245
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
425663Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
425664Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
425666Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453
425665Histamine H2 receptorP25102Hrh2Rattus norvegicus (Rat)358

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