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GPCR

Name5-hydroxytryptamine receptor 1D
SpeciesCavia porcellus (Guinea pig)
GeneHTR1D
Synonym5-HT-1D
5-HT1D
Serotonin receptor 1D
DiseaseN/A for non-human GPCRs
Length376
Amino acid sequenceMSPPNQSEEGLPQEASNRSLNATETPGDWDPGLLQALKVSLVVVLSIITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTTTRTWNFGQILCDIWVSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAGAMIAAVWVISICISIPPLFWRQAQAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYSRIYRAARSRILNPPSLSGKRFTTAHLITGSAGSSLCSLNPSLHEGHMHPGSPLFFNHVRIKLADSVLERKRISAARERKATKTLGIILGAFIVCWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEDFRQAFQKVVHFRKAS
UniProtQ60484
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2304407
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL75642
Molecular formulaC22H21N5
IUPAC name1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-5-carbonitrile
Molecular weight355.445
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50285522
CP-161242
1-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1H-benzoimidazole-5-carbonitrile
SCHEMBL7448014
Inchi KeyKVKYGVOAHGNAKZ-QGZVFWFLSA-N
Inchi IDInChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3/t17-/m1/s1
PubChem CID9950538
ChEMBLCHEMBL75642
IUPHARN/A
BindingDB50285522
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC500.042 nMN/ABindingDB
EC500.042 nMBioorg. Med. Chem. Lett., (1995) 5:20:2391ChEMBL

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