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Ligand

NameCHEMBL61379
Molecular formulaC18H23N3O5
IUPAC name3-[[(2S)-3-(1H-indol-3-yl)-2-(propan-2-yloxycarbonylamino)propanoyl]amino]propanoic acid
Molecular weight361.398
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP1.5
SynonymsBDBM50289847
3-[(S)-3-(1H-Indol-3-yl)-2-isopropoxycarbonylamino-propionylamino]-propionic acid
Inchi KeyDNSGEZVQKQUAHK-HNNXBMFYSA-N
Inchi IDInChI=1S/C18H23N3O5/c1-11(2)26-18(25)21-15(17(24)19-8-7-16(22)23)9-12-10-20-14-6-4-3-5-13(12)14/h3-6,10-11,15,20H,7-9H2,1-2H3,(H,19,24)(H,21,25)(H,22,23)/t15-/m0/s1
PubChem CID44302175
ChEMBLCHEMBL61379
IUPHARN/A
BindingDB50289847
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
64617Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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