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Ligand

NameCHEMBL61351
Molecular formulaC18H21N5O3
IUPAC namemethyl N-[(2S)-1-[2-(1H-imidazol-5-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight355.398
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP1.4
SynonymsBDBM50289793
[1-[2-(1H-Imidazol-4-yl)-ethylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-carbamic acid methyl ester
Inchi KeyBUCCIUNKBVPPSI-INIZCTEOSA-N
Inchi IDInChI=1S/C18H21N5O3/c1-26-18(25)23-16(17(24)20-7-6-13-10-19-11-22-13)8-12-9-21-15-5-3-2-4-14(12)15/h2-5,9-11,16,21H,6-8H2,1H3,(H,19,22)(H,20,24)(H,23,25)/t16-/m0/s1
PubChem CID44301654
ChEMBLCHEMBL61351
IUPHARN/A
BindingDB50289793
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
32901Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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