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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

Name5-Carboxamidotryptamine
Molecular formulaC11H13N3O
IUPAC name3-(2-aminoethyl)-1H-indole-5-carboxamide
Molecular weight203.245
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP-0.6
Synonyms1H-Indole-5-carboxamide, 3-(2-aminoethyl)-
1H-Indole-5-carboxamide,3-(2-aminoethyl)-
3-(2-AMINO-ETHYL)-1H-INDOLE-5-CARBOXYLIC ACID AMIDE
3-(2-aminoethyl)-1H-indole-5-carboxamide
3-(2-aminoethyl)-1h-indole-5-carboxylic acid amide
[ Show all ]
Inchi KeyWKZLNEWVIAGNAW-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
PubChem CID1809
ChEMBLCHEMBL18840
IUPHAR4
BindingDB21392
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki15.4882 nMPMID10498829PDSP
Ki15.49 nMPMID10498829BindingDB
Ki116.0 nMPMID8632342PDSP,BindingDB
Ki125.893 - 199.526 nMPMID15322733, PMID8078486IUPHAR
Ki127.0 nMPMID8078486PDSP,BindingDB
Ki186.209 nMPMID15322733PDSP
Ki186.21 nMPMID15322733BindingDB

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