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GPCR

NameSomatostatin receptor type 4
SpeciesHomo sapiens (Human)
GeneSSTR4
SynonymSS4R
SS4-R
SS-4-R
SRIF2B
SST4 receptor
DiseaseN/A
Length388
Amino acid sequenceMSAPSTLPPGGEEGLGTAWPSAANASSAPAEAEEAVAGPGDARAAGMVAIQCIYALVCLVGLVGNALVIFVILRYAKMKTATNIYLLNLAVADELFMLSVPFVASSAALRHWPFGSVLCRAVLSVDGLNMFTSVFCLTVLSVDRYVAVVHPLRAATYRRPSVAKLINLGVWLASLLVTLPIAIFADTRPARGGQAVACNLQWPHPAWSAVFVVYTFLLGFLLPVLAIGLCYLLIVGKMRAVALRAGWQQRRRSEKKITRLVLMVVVVFVLCWMPFYVVQLLNLFVTSLDATVNHVSLILSYANSCANPILYGFLSDNFRRFFQRVLCLRCCLLEGAGGAEEEPLDYYATALKSKGGAGCMCPPLPCQQEALQPEPGRKRIPLTRTTTF
UniProtP31391
Protein Data BankN/A
GPCR-HGmod modelP31391
3D structure modelThis predicted structure model is from GPCR-EXP P31391.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1853
IUPHAR358
DrugBankBE0009273

Ligand

NameBDBM84619
Molecular formulaC69H83ClN12O13
IUPAC name(2R)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1323.94
Hydrogen bond acceptor15
Hydrogen bond donor16
XlogP4.1
SynonymsCAS_150155-63-8
L-Threoninamide,3-(2-naphthalenyl)-D-alanyl-4-chloro-L-phenylalanyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-phenylalanyl-(9CI)
BIM 23065
Inchi KeyQELDYWYCXPWQIN-NQEYMWBOSA-N
Inchi IDInChI=1S/C69H83ClN12O13/c1-38(83)58(61(73)87)80-67(93)56(33-41-13-5-4-6-14-41)79-68(94)59(39(2)84)82-69(95)60(40(3)85)81-63(89)53(19-11-12-30-71)75-66(92)57(36-47-37-74-52-18-10-9-17-50(47)52)78-65(91)55(35-43-23-28-49(86)29-24-43)77-64(90)54(34-42-21-26-48(70)27-22-42)76-62(88)51(72)32-44-20-25-45-15-7-8-16-46(45)31-44/h4-10,13-18,20-29,31,37-40,51,53-60,74,83-86H,11-12,19,30,32-36,71-72H2,1-3H3,(H2,73,87)(H,75,92)(H,76,88)(H,77,90)(H,78,91)(H,79,94)(H,80,93)(H,81,89)(H,82,95)/t38-,39?,40?,51-,53-,54+,55?,56-,57+,58+,59+,60+/m1/s1
PubChem CID57339785
ChEMBLN/A
IUPHARN/A
BindingDB84619
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
Ki1000.0 nMPMID7988476BindingDB

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