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GPCR

Name5-hydroxytryptamine receptor 1A
SpeciesHomo sapiens (Human)
GeneHTR1A
Synonym5-HT1A receptor
ADRB2RL1
ADRBRL1
serotonin receptor 1A
5-HT1A
[ Show all ]
DiseaseMajor depressive disorder; Episode; Anxiety
Migraine
Mood disorder
Pain
Parkinson's disease
[ Show all ]
Length422
Amino acid sequenceMDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
UniProtP08908
Protein Data BankN/A
GPCR-HGmod modelP08908
3D structure modelThis predicted structure model is from GPCR-EXP P08908.
BioLiPN/A
Therapeutic Target DatabaseT78709
ChEMBLCHEMBL214
IUPHAR1
DrugBankBE0000291

Ligand

NameCHEMBL11388
Molecular formulaC16H23NO
IUPAC name(3aS,9aR)-5-methoxy-1-propyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indole
Molecular weight245.366
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.6
Synonyms5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole
SCHEMBL7499477
BDBM50034324
(3aS,9aR) 5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole
(3aS,9aR)-5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole
[ Show all ]
Inchi KeyHDCVYYTWHHFQGS-UKRRQHHQSA-N
Inchi IDInChI=1S/C16H23NO/c1-3-8-17-9-7-13-10-14-12(11-15(13)17)5-4-6-16(14)18-2/h4-6,13,15H,3,7-11H2,1-2H3/t13-,15-/m1/s1
PubChem CID10377224
ChEMBLCHEMBL11388
IUPHARN/A
BindingDB50034324
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd15.85 nMPMID19754201ChEMBL
Ki17.0 nMPMID7731016, PMID8097538BindingDB,ChEMBL
Ki37.0 nMPMID8097538BindingDB,ChEMBL
Ki38.0 nMPMID8496900BindingDB,ChEMBL

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