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Ligand

NameCHEMBL286907
Molecular formulaC36H40N10O4S2
IUPAC nameN-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-[[2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]butanamide
Molecular weight740.902
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP2.8
SynonymsBDBM50287236
N-[2-(2-Guanidino-thiazol-4-ylmethylsulfanyl)-ethyl]-4-{2-[2-oxo-5-phenyl-3-(3-m-tolyl-ureido)-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetylamino}-butyramide
Inchi KeyUEJRCQPXIWAFRB-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H40N10O4S2/c1-23-9-7-12-25(19-23)41-35(50)44-32-33(49)46(28-14-6-5-13-27(28)31(43-32)24-10-3-2-4-11-24)20-30(48)39-16-8-15-29(47)40-17-18-51-21-26-22-52-36(42-26)45-34(37)38/h2-7,9-14,19,22,32H,8,15-18,20-21H2,1H3,(H,39,48)(H,40,47)(H2,41,44,50)(H4,37,38,42,45)
PubChem CID44280713
ChEMBLCHEMBL286907
IUPHARN/A
BindingDB50287236
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
334801Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
334799Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
334800Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453
334798Histamine H2 receptorP25102Hrh2Rattus norvegicus (Rat)358

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