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GPCR

NameMelatonin receptor type 1A
SpeciesRattus norvegicus (Rat)
GeneMtnr1a
SynonymMel-1A-R
mel1a receptor
MelR
MT1 receptor
DiseaseN/A for non-human GPCRs
Length156
Amino acid sequenceCYICHSLKYDRIYSNKNSLCYVFLIWTLTLIAIMPNLQTGTLQYDPRIYSCTFTQSVSSAYTIALVVFHFVVPMIIVTFCYLRIWILVLQVRRRVKPDSKPKLKPQDFRNFVTMFVVFVLFALCWAPLNFIGLIVASDPATMAPRIPEWLFVASYY
UniProtP49218
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHARN/A
DrugBankN/A

Ligand

Nameabt-702
Molecular formulaC22H19BrN6O
IUPAC name5-(3-bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amine
Molecular weight463.339
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.4
SynonymsAbt 702
ABT702
CHEMBL66089
UNII-2P206WS5B3
2P206WS5B3
[ Show all ]
Inchi KeyRQCXKDWOCUJWQZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
PubChem CID1973
ChEMBLN/A
IUPHARN/A
BindingDB50094703
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID11082453BindingDB

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