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GPCR

Name5-hydroxytryptamine receptor 2C
SpeciesRattus norvegicus (Rat)
GeneHtr2c
Synonym5-HT-1C
serotonin 1c receptor
HTR1C
5-hydroxytryptamine receptor 1C
5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled
[ Show all ]
DiseaseN/A for non-human GPCRs
Length460
Amino acid sequenceMVNLGNAVRSLLMHLIGLLVWQFDISISPVAAIVTDTFNSSDGGRLFQFPDGVQNWPALSIVVIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDESKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYFLTIYVLRRQTLMLLRGHTEEELANMSLNFLNCCCKKNGGEEENAPNPNPDQKPRRKKKEKRPRGTMQAINNEKKASKVLGIVFFVFLIMWCPFFITNILSVLCGKACNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSKYLRCDYKPDKKPPVRQIPRVAATALSGRELNVNIYRHTNERVARKANDPEPGIEMQVENLELPVNPSNVVSERISSV
UniProtP08909
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL324
IUPHAR8
DrugBankBE0004882

Ligand

NameERGOTAMINE
Molecular formulaC33H35N5O5
IUPAC name(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight581.673
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.0
SynonymsAB01275473-01
DTXSID9043774
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'-alpha)-
Ergotamine [INN:BAN]
ETIN
[ Show all ]
Inchi KeyXCGSFFUVFURLIX-VFGNJEKYSA-N
Inchi IDInChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
PubChem CID8223
ChEMBLCHEMBL442
IUPHAR149
BindingDB50027065
DrugBankDB00696

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki2.45 nMPMID9225287BindingDB
Ki12.0 nMPMID11104741BindingDB
Ki12.5893 nMPMID11104741IUPHAR

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