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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

NameCHEMBL3261785
Molecular formulaC52H89F3N16O12
IUPAC name(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-[(2,2,2-trifluoroacetyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-6-aminohexanoyl]amino]acetyl]-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1187.38
Hydrogen bond acceptor17
Hydrogen bond donor13
XlogP-0.8
SynonymsBDBM50014617
Inchi KeyAKOMAGCWNXOCFX-LOIKTUNESA-N
Inchi IDInChI=1S/C52H89F3N16O12/c1-28(2)25-36(41(57)74)68-47(80)38-18-13-23-70(38)40(73)27-62-44(77)33(15-8-10-20-56)66-43(76)31(6)63-42(75)30(5)64-46(79)37(26-29(3)4)69-45(78)34(17-12-22-61-51(58)59)67-48(81)39-19-14-24-71(39)49(82)35(65-32(7)72)16-9-11-21-60-50(83)52(53,54)55/h28-31,33-39H,8-27,56H2,1-7H3,(H2,57,74)(H,60,83)(H,62,77)(H,63,75)(H,64,79)(H,65,72)(H,66,76)(H,67,81)(H,68,80)(H,69,78)(H4,58,59,61)/t30-,31-,33-,34-,35-,36-,37-,38-,39-/m0/s1
PubChem CID90656618
ChEMBLCHEMBL3261785
IUPHARN/A
BindingDB50014617
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC50<3000.0 nMPMID24755525BindingDB,ChEMBL

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