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Ligand

NameCHEMBL2164612
Molecular formulaC40H43BF4N2O4
IUPAC name(E)-3-[2-[(E)-3-[4-[2-[4-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]-2,6-dimethylpyridin-1-ium-1-yl]ethoxy]-3-methoxyphenyl]prop-1-enyl]phenyl]prop-2-enoic acid;tetrafluoroborate
Molecular weight702.598
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyAAPXAUBEBZRKLQ-FZYAHIAHSA-O
Inchi IDInChI=1S/C40H42N2O4.BF4/c1-30-27-34(12-7-6-11-32-17-21-37(22-18-32)41(3)4)28-31(2)42(30)25-26-46-38-23-19-33(29-39(38)45-5)13-10-16-35-14-8-9-15-36(35)20-24-40(43)44;2-1(3,4)5/h6-12,14-24,27-29H,13,25-26H2,1-5H3;/q;-1/p+1/b16-10+,24-20+;
PubChem CID71458757
ChEMBLCHEMBL2164612
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
429Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
430Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
428Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
431Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488

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