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Ligand

NameCHEMBL3577309
Molecular formulaC32H34N4O4
IUPAC name(3S,5S)-3-(4-aminobutyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-oxo-5-(4-phenylphenyl)-3,4,5,6-tetrahydropyrrolo[3,2-e][1,4]diazepine-7-carboxylic acid
Molecular weight538.648
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP1.9
SynonymsBDBM50089665
Inchi KeyDUNUPTQBHCOSBR-WNJJXGMVSA-N
Inchi IDInChI=1S/C32H34N4O4/c33-18-5-4-8-26-31(38)36(19-17-21-9-15-25(37)16-10-21)28-20-27(32(39)40)35-30(28)29(34-26)24-13-11-23(12-14-24)22-6-2-1-3-7-22/h1-3,6-7,9-16,20,26,29,34-35,37H,4-5,8,17-19,33H2,(H,39,40)/t26-,29-/m0/s1
PubChem CID122177633
ChEMBLCHEMBL3577309
IUPHARN/A
BindingDB50089665
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
471466Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386

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