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Ligand

NameCHEMBL3577308
Molecular formulaC29H30N4O4
IUPAC name(3S,5R)-3-(3-aminopropyl)-1-[2-(4-hydroxyphenyl)ethyl]-5-naphthalen-1-yl-2-oxo-3,4,5,6-tetrahydropyrrolo[3,2-e][1,4]diazepine-7-carboxylic acid
Molecular weight498.583
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP1.2
SynonymsBDBM50089659
Inchi KeyHDBUPMKLYFPHHI-JYFHCDHNSA-N
Inchi IDInChI=1S/C29H30N4O4/c30-15-4-9-23-28(35)33(16-14-18-10-12-20(34)13-11-18)25-17-24(29(36)37)32-27(25)26(31-23)22-8-3-6-19-5-1-2-7-21(19)22/h1-3,5-8,10-13,17,23,26,31-32,34H,4,9,14-16,30H2,(H,36,37)/t23-,26+/m0/s1
PubChem CID122177632
ChEMBLCHEMBL3577308
IUPHARN/A
BindingDB50089659
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
476682Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386
476683Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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