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GPCR

NameG-protein coupled bile acid receptor 1
SpeciesMus musculus (Mouse)
GeneGpbar1
Synonymmembrane-type receptor for bile acids
M-BAR
hGPCR19
GPR131
GPCR19
[ Show all ]
DiseaseN/A for non-human GPCRs
Length329
Amino acid sequenceMMTPNSTELSAIPMGVLGLSLALASLIVIANLLLALGIALDRHLRSPPAGCFFLSLLLAGLLTGLALPMLPGLWSRNHQGYWSCLLLHLTPNFCFLSLLANLLLVHGERYMAVLQPLRPHGSVRLALFLTWVSSLFFASLPALGWNHWSPDANCSSQAVFPAPYLYLEVYGLLLPAVGATALLSVRVLATAHRQLCEIRRLERAVCRDVPSTLARALTWRQARAQAGATLLFLLCWGPYVATLLLSVLAYERRPPLGPGTLLSLISLGSTSAAAVPVAMGLGDQRYTAPWRTAAQRCLRVLRGRAKRDNPGPSTAYHTSSQCSIDLDLN
UniProtQ80SS6
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1255150
IUPHAR37
DrugBankN/A

Ligand

NameCHEMBL3421902
Molecular formulaC60H62Cl4N8O9
IUPAC name3-[2,5-dichloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxyphenyl]-N-[2-[2-[2-[2-[3-[2,5-dichloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxyphenyl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide
Molecular weight1181.0
Hydrogen bond acceptor13
Hydrogen bond donor2
XlogP8.6
SynonymsBDBM50081114
J3.552.505J
N,N'-[Oxybis(ethyleneoxyethylene)]bis[3-[2,5-dichloro-4-[[3-[[4-cyclopropyl-3,4-dihydroquinoxaline-1(2H)-yl]carbonyl]-4-pyridinyl]oxy]phenyl]propanamide]
Inchi KeyMFMRXWDCIXCIMX-UHFFFAOYSA-N
Inchi IDInChI=1S/C60H62Cl4N8O9/c61-45-35-55(80-53-17-19-65-37-43(53)59(75)71-25-23-69(41-11-12-41)49-5-1-3-7-51(49)71)47(63)33-39(45)9-15-57(73)67-21-27-77-29-31-79-32-30-78-28-22-68-58(74)16-10-40-34-48(64)56(36-46(40)62)81-54-18-20-66-38-44(54)60(76)72-26-24-70(42-13-14-42)50-6-2-4-8-52(50)72/h1-8,17-20,33-38,41-42H,9-16,21-32H2,(H,67,73)(H,68,74)
PubChem CID118735266
ChEMBLCHEMBL3421902
IUPHARN/A
BindingDB50081114
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.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC5014000.0 nMPMID25710631BindingDB,ChEMBL

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