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Ligand

NameCHEMBL58537
Molecular formulaC21H33N5O3
IUPAC name4-aminobutyl N-[(2S)-1-(5-aminopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight403.527
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP1.1
SynonymsBDBM50289820
[(S)-1-(5-Amino-pentylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid 4-amino-butyl ester
Inchi KeyFSRBPFISLYFCQS-IBGZPJMESA-N
Inchi IDInChI=1S/C21H33N5O3/c22-10-4-1-6-12-24-20(27)19(26-21(28)29-13-7-5-11-23)14-16-15-25-18-9-3-2-8-17(16)18/h2-3,8-9,15,19,25H,1,4-7,10-14,22-23H2,(H,24,27)(H,26,28)/t19-/m0/s1
PubChem CID44301855
ChEMBLCHEMBL58537
IUPHARN/A
BindingDB50289820
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
86329Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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