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Ligand

NameCHEMBL1165793
Molecular formulaC41H50N8O8S2
IUPAC name(4R,7S,10S,13S,16S,19R)-19-amino-10-(4-aminobutyl)-16-benzyl-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxylic acid
Molecular weight847.019
Hydrogen bond acceptor12
Hydrogen bond donor10
XlogP-0.2
SynonymsBDBM50320465
CFWKYC
Inchi KeyJSYDWSHWYSGRFQ-LXOXETEGSA-N
Inchi IDInChI=1S/C41H50N8O8S2/c42-17-7-6-12-31-37(52)47-33(19-25-13-15-27(50)16-14-25)39(54)49-35(41(56)57)23-59-58-22-29(43)36(51)46-32(18-24-8-2-1-3-9-24)38(53)48-34(40(55)45-31)20-26-21-44-30-11-5-4-10-28(26)30/h1-5,8-11,13-16,21,29,31-35,44,50H,6-7,12,17-20,22-23,42-43H2,(H,45,55)(H,46,51)(H,47,52)(H,48,53)(H,49,54)(H,56,57)/t29-,31-,32-,33-,34-,35-/m0/s1
PubChem CID11714850
ChEMBLCHEMBL1165793
IUPHARN/A
BindingDB50320465
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
159178Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386

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