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GPCR

Name5-hydroxytryptamine receptor 4
SpeciesHomo sapiens (Human)
GeneHTR4
Synonym5-HT-4
5-hydroxytryptamine (serotonin) receptor 4, G protein-coupled
5-HT4 receptor
5-HT4
serotonin receptor 4
DiseaseN/A
Length388
Amino acid sequenceMDKLDANVSSEEGFGSVEKVVLLTFLSTVILMAILGNLLVMVAVCWDRQLRKIKTNYFIVSLAFADLLVSVLVMPFGAIELVQDIWIYGEVFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPTFISFLPIMQGWNNIGIIDLIEKRKFNQNSNSTYCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHAHQIQMLQRAGASSESRPQSADQHSTHRMRTETKAAKTLCIIMGCFCLCWAPFFVTNIVDPFIDYTVPGQVWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYRRPSILGQTVPCSTTTINGSTHVLRDAVECGGQWESQCHPPATSPLVAAQPSDT
UniProtQ13639
Protein Data BankN/A
GPCR-HGmod modelQ13639
3D structure modelThis predicted structure model is from GPCR-EXP Q13639.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1875
IUPHAR9
DrugBankBE0000084

Ligand

NameSC-53116
Molecular formulaC16H22ClN3O2
IUPAC name4-amino-5-chloro-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-2-methoxybenzamide
Molecular weight323.821
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.1
SynonymsNCGC00408826-01
4-Amino-5-chloro-N-((hexahydro-1H-pyrrolizin-1-yl)methyl)-2-methoxybenzamide hydrochloride
Benzamide, 4-amino-5-chloro-N-((hexahydro-1H-pyrrolizin-1-yl)methyl)-2-methoxy-, (1S-cis)-
(exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-ylmethyl)-2-methoxy-benzamide
4-amino-5-chloro-N-[(1S-cis-hexahydro-1H-pyrrolizin-1-yl)-methyl]-2-methoxybenzenecarboxamide
[ Show all ]
Inchi KeyGAYSOZKZPOVDSB-HZMBPMFUSA-N
Inchi IDInChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
PubChem CID132337
ChEMBLCHEMBL34291
IUPHAR238
BindingDB50005833
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC5019.95 nMBioorg. Med. Chem. Lett., (1994) 4:20:2477ChEMBL
EC5020.0 nMN/ABindingDB
Intrinsic activity0.6 -Bioorg. Med. Chem. Lett., (1994) 4:20:2477ChEMBL

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