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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

NameCHEMBL605971
Molecular formulaC22H22N4O2S
IUPAC name(3R)-1-(2-methyl-3-naphthalen-1-ylsulfonylindazol-5-yl)pyrrolidin-3-amine
Molecular weight406.504
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50308172
SCHEMBL12622501
(3R)-1-[2-Methyl-3-(naphthalen-1-ylsulfonyl)-2H-indazol-5-yl]pyrrolidin-3-amine
Inchi KeyAUNJSZUSKBJRIJ-MRXNPFEDSA-N
Inchi IDInChI=1S/C22H22N4O2S/c1-25-22(29(27,28)21-8-4-6-15-5-2-3-7-18(15)21)19-13-17(9-10-20(19)24-25)26-12-11-16(23)14-26/h2-10,13,16H,11-12,14,23H2,1H3/t16-/m1/s1
PubChem CID45378934
ChEMBLCHEMBL605971
IUPHARN/A
BindingDB50308172
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki455.0 nMPMID20170099BindingDB,ChEMBL

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