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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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GPCR

NameApelin receptor
SpeciesHomo sapiens (Human)
GeneAPLNR
Synonymmsr/apj
GPCR34
G-protein coupled receptor HG11
G-protein coupled receptor APJ
AGTRL1
[ Show all ]
DiseaseN/A
Length380
Amino acid sequenceMEEGGDFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREKRRSADIFIASLAVADLTFVVTLPLWATYTYRDYDWPFGTFFCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTTKVQCYMDYSMVATVSSEWAWEVGLGVSSTTVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCISYVNSCLNPFLYAFFDPRFRQACTSMLCCGQSRCAGTSHSSSGEKSASYSSGHSQGPGPNMGKGGEQMHEKSIPYSQETLVVD
UniProtP35414
Protein Data Bank5vbl
GPCR-HGmod modelP35414
3D structure modelThis structure is from PDB ID 5vbl.
BioLiPBL0380094, BL0380093
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1628481
IUPHAR36
DrugBankN/A

Ligand

NameMLS000698760
Molecular formulaC11H10ClN3S2
IUPAC name1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea
Molecular weight283.792
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.5
SynonymsCHEMBL1457787
1-(3-chlorophenyl)-3-(4-methylthiazol-2-yl)thiourea
BDBM67239
SMR000227756
1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea
[ Show all ]
Inchi KeyBNYMXHNGRALRBV-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H10ClN3S2/c1-7-6-17-11(13-7)15-10(16)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H2,13,14,15,16)
PubChem CID1225439
ChEMBLCHEMBL1457787
IUPHARN/A
BindingDB67239
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5033100.0 nMN/ABindingDB

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