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GPCR

Name5-hydroxytryptamine receptor 1B
SpeciesCricetulus griseus (Chinese hamster)
GeneHTR1B
Synonym5-HT-1B
5-HT1B
Serotonin receptor 1B
DiseaseN/A for non-human GPCRs
Length386
Amino acid sequenceMEEQGIQCAPPPPAASQTGVPLVNLSHNCSAESHIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPVSTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVEYAAKRTPKRAAIMIALVWVFSISISLPPFFWRQAKAEEEVLTCLVNTDHVLYTVYSTGGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTTSVTSINSRAPDLPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMATLDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCAG
UniProtP46636
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3707466
IUPHARN/A
DrugBankN/A

Ligand

NameSCHEMBL931520
Molecular formulaC24H28N4O2
IUPAC name[7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone
Molecular weight404.514
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM136330
(7-(4-(2-(Pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-yl)(pyrrolidin-1-yl)methanone
US8859534, 16
CHEMBL3647274
ZXSHOERJJDKLRL-UHFFFAOYSA-N
Inchi KeyZXSHOERJJDKLRL-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28N4O2/c29-24(28-11-3-4-12-28)22-18-19-6-5-8-21(23(19)30-22)27-16-14-26(15-17-27)13-9-20-7-1-2-10-25-20/h1-2,5-8,10,18H,3-4,9,11-17H2
PubChem CID59636780
ChEMBLCHEMBL3647274
IUPHARN/A
BindingDB136330
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4.4 nM, NoneBindingDB,ChEMBL

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