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Ligand

NameCHEMBL59178
Molecular formulaC21H32N4O3
IUPAC name2-methylpropyl N-[(2S)-1-(5-aminopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight388.512
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP2.7
SynonymsBDBM50289797
[(S)-1-(5-Amino-pentylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid isobutyl ester
Inchi KeyIIPVMVJYCSYFEH-IBGZPJMESA-N
Inchi IDInChI=1S/C21H32N4O3/c1-15(2)14-28-21(27)25-19(20(26)23-11-7-3-6-10-22)12-16-13-24-18-9-5-4-8-17(16)18/h4-5,8-9,13,15,19,24H,3,6-7,10-12,14,22H2,1-2H3,(H,23,26)(H,25,27)/t19-/m0/s1
PubChem CID44301915
ChEMBLCHEMBL59178
IUPHARN/A
BindingDB50289797
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
134083Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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