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Ligand

NameCHEMBL286908
Molecular formulaC35H38N10O4S2
IUPAC nameN-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-3-[[2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]propanamide
Molecular weight726.875
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP2.4
SynonymsBDBM50287259
N-[2-(2-Guanidino-thiazol-4-ylmethylsulfanyl)-ethyl]-3-{2-[2-oxo-5-phenyl-3-(3-m-tolyl-ureido)-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetylamino}-propionamide
Inchi KeyRLQPQVFXNUEGBZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H38N10O4S2/c1-22-8-7-11-24(18-22)40-34(49)43-31-32(48)45(27-13-6-5-12-26(27)30(42-31)23-9-3-2-4-10-23)19-29(47)38-15-14-28(46)39-16-17-50-20-25-21-51-35(41-25)44-33(36)37/h2-13,18,21,31H,14-17,19-20H2,1H3,(H,38,47)(H,39,46)(H2,40,43,49)(H4,36,37,41,44)
PubChem CID44280714
ChEMBLCHEMBL286908
IUPHARN/A
BindingDB50287259
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
299255Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
299253Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
299256Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453
299254Histamine H2 receptorP25102Hrh2Rattus norvegicus (Rat)358

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