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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

NameCHEMBL55207
Molecular formulaC20H16Cl2N4O2
IUPAC name6-chloro-N-[6-(4-chloropyridin-3-yl)oxypyridin-3-yl]-5-methyl-2,3-dihydroindole-1-carboxamide
Molecular weight415.274
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50217974
N-[6-(4-Chloro-3-pyridinyloxy)-3-pyridinyl]-5-methyl-6-chloroindoline-1-carboxamide
Inchi KeyAGPTZOURDHRCAS-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H16Cl2N4O2/c1-12-8-13-5-7-26(17(13)9-16(12)22)20(27)25-14-2-3-19(24-10-14)28-18-11-23-6-4-15(18)21/h2-4,6,8-11H,5,7H2,1H3,(H,25,27)
PubChem CID44298163
ChEMBLCHEMBL55207
IUPHARN/A
BindingDB50217974
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki12.59 nMPMID10969986ChEMBL
Ki13.0 nMPMID10969986BindingDB

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