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Ligand

NameCHEMBL3577306
Molecular formulaC31H32N4O4
IUPAC name(3S,5R)-3-(3-aminopropyl)-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 weight524.621
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP1.6
SynonymsBDBM50089664
Inchi KeyIWZSKBNLFSKRNE-LBNVMWSVSA-N
Inchi IDInChI=1S/C31H32N4O4/c32-17-4-7-25-30(37)35(18-16-20-8-14-24(36)15-9-20)27-19-26(31(38)39)34-29(27)28(33-25)23-12-10-22(11-13-23)21-5-2-1-3-6-21/h1-3,5-6,8-15,19,25,28,33-34,36H,4,7,16-18,32H2,(H,38,39)/t25-,28+/m0/s1
PubChem CID122177630
ChEMBLCHEMBL3577306
IUPHARN/A
BindingDB50089664
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
480659Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386

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