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GPCR

Name5-hydroxytryptamine receptor 2B
SpeciesHomo sapiens (Human)
GeneHTR2B
Synonymstomach fundus serotonin receptor
serotonin receptor 2B
5-HT2F
5-HT-2B
5-HT2B
[ Show all ]
DiseasePsychoses
Migraine
Irritable bowel syndrome
Depression; Cerebral infarction
Coronary heart disease
[ Show all ]
Length481
Amino acid sequenceMALSYRVSELQSTIPEHILQSTFVHVISSNWSGLQTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIMHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKAYLVKNKPPQRLTWLTVSTVFQRDETPCSSPEKVAMLDGSRKDKALPNSGDETLMRRTSTIGKKSVQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRATKSVKTLRKRSSKIYFRNPMAENSKFFKKHGIRNGINPAMYQSPMRLRSSTIQSSSIILLDTLLLTENEGDKTEEQVSYV
UniProtP41595
Protein Data Bank5tud, 5tvn, 6drx, 4ib4, 4nc3, 6dry, 6drz, 6ds0
GPCR-HGmod modelP41595
3D structure modelThis structure is from PDB ID 5tud.
BioLiPBL0425280, BL0425283, BL0425282, BL0239858, BL0239859, BL0265182, BL0265183, BL0368464, BL0425281, BL0385686,BL0385687, BL0425284, BL0425285, BL0425286, BL0368465, BL0425287
Therapeutic Target DatabaseT31204
ChEMBLCHEMBL1833
IUPHAR7
DrugBankBE0000393

Ligand

NameSCHEMBL2101506
Molecular formulaC21H20ClFN2O4
IUPAC name(4S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
Molecular weight418.849
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.3
SynonymsCHEMBL3741992
Inchi KeyGGNOURYPUNZEOQ-HNNXBMFYSA-N
Inchi IDInChI=1S/C21H20ClFN2O4/c1-12-8-17(22)19(29-7-6-26)10-18(12)25-21(28)16-11-24-20(27)9-15(16)13-2-4-14(23)5-3-13/h2-5,8,10-11,15,26H,6-7,9H2,1H3,(H,24,27)(H,25,28)/t15-/m0/s1
PubChem CID46832336
ChEMBLCHEMBL3741992
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition>30.0 %PMID26460788ChEMBL

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