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Ligand

NameCID 23427740
Molecular formulaC34H27Br4N4NaO11S
IUPAC namesodium;[(12E,25E)-16,21,32,36-tetrabromo-4-hydroxy-12,25-bis(hydroxyimino)-11,26-dioxo-2,19-dioxa-10,27-diazapentacyclo[28.2.2.220,23.13,7.114,18]octatriaconta-1(32),3,5,7(38),14(37),15,17,20(36),21,23(35),30,33-dodecaen-17-yl] sulfate
Molecular weight1042.27
Hydrogen bond acceptor13
Hydrogen bond donor5
XlogPNone
SynonymsN/A
Inchi KeyCJHYNEZGMLQMEZ-ZJYWHABFSA-M
Inchi IDInChI=1S/C34H28Br4N4O11S.Na/c35-21-9-17-2-4-28(21)51-29-15-18(1-3-27(29)43)6-8-40-34(45)26(42-47)14-20-12-24(38)32(53-54(48,49)50)30(16-20)52-31-22(36)10-19(11-23(31)37)13-25(41-46)33(44)39-7-5-17;/h1-4,9-12,15-16,43,46-47H,5-8,13-14H2,(H,39,44)(H,40,45)(H,48,49,50);/q;+1/p-1/b41-25+,42-26+;
PubChem CID23427740
ChEMBLCHEMBL465400
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
43381Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
43380Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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