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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

Namespiperone
Molecular formulaC23H26FN3O2
IUPAC name8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight395.478
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.0
SynonymsSpiroperone
Tox21_110269
MFCD00055099
4X6E73CJ0Q
NCGC00015964-05
[ Show all ]
Inchi KeyDKGZKTPJOSAWFA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
PubChem CID5265
ChEMBLCHEMBL267930
IUPHAR99, 3300
BindingDB21397
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki316.228 - 1258.93 nMPMID15322733, PMID8078486, PMID9459568IUPHAR
Ki317.0 nMPMID9459568PDSP,BindingDB
Ki592.0 nMPMID9459568PDSP,BindingDB
Ki697.0 nMPMID8078486PDSP,BindingDB
Ki704.0 nMPMID8632342PDSP,BindingDB
Ki1258.93 nMBioorg. Med. Chem. Lett., (1996) 6:22:2687ChEMBL
Ki1259.0 nMN/ABindingDB
Ki1318.25 nMPMID9225287PDSP,BindingDB
Ki1318.26 nMPMID15322733PDSP
Ki1318.26 nMPMID15322733BindingDB
Ki1584.89 nMPMID7582481, PMID10821800PDSP,BindingDB
Ki1584.89 nMPMID10821800PDSP

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