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Ligand

NameCHEMBL30656
Molecular formulaC35H38N10O5S2
IUPAC nameN-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-[[2-[3-[1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenoxy]acetyl]amino]acetamide
Molecular weight742.874
Hydrogen bond acceptor10
Hydrogen bond donor6
XlogP2.5
SynonymsBDBM50287239
N-{[2-(2-Guanidino-thiazol-4-ylmethylsulfanyl)-ethylcarbamoyl]-methyl}-2-{3-[1-methyl-2-oxo-3-(3-m-tolyl-ureido)-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl]-phenoxy}-acetamide
Inchi KeySQOFWEYFVZRPBW-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H38N10O5S2/c1-21-7-5-9-23(15-21)40-34(49)43-31-32(48)45(2)27-12-4-3-11-26(27)30(42-31)22-8-6-10-25(16-22)50-18-29(47)39-17-28(46)38-13-14-51-19-24-20-52-35(41-24)44-33(36)37/h3-12,15-16,20,31H,13-14,17-19H2,1-2H3,(H,38,46)(H,39,47)(H2,40,43,49)(H4,36,37,41,44)
PubChem CID9896825
ChEMBLCHEMBL30656
IUPHARN/A
BindingDB50287239
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
320820Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
320821Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
320822Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453
320823Histamine H2 receptorP25102Hrh2Rattus norvegicus (Rat)358

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