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GPCR

NameNeuropeptide S receptor
SpeciesMus musculus (Mouse)
GeneNpsr1
Synonymvasopressin receptor-related receptor 1
PGR14
NPS receptor
GPR154
G-protein coupled receptor PGR14
[ Show all ]
DiseaseN/A for non-human GPCRs
Length371
Amino acid sequenceMPANLTEGSFHANQTVPMLDSSPVACTEIVTFTEALVAEEWGSFYSSFKTEQLITLWVLFVVTIVGNSVVLFSTCRRKRKSRMTFFVTQLAITDSFTGLINILTDIIWRFTGDFMAPDLVCRVVRYLQVVLLYASTYVLVSLSIDRYHAIVYPMKFLQGEKQAKVLIGIAWSLSFLFSIPTLIIFGKRTLSNGEVQCWALWPDDSYWTPYMTIVAFLVYFIPLAIISVIYGLVIRTIWMKSKTHETVISNCSDGKLCCSYNRGLISKAKIKAIKYSIVIILAFICCWSPYFLFDILDNFNVLPDTKERFYASVIIQNLPALNSAINPLIYCIFSSSICSPCKMQRSQDSRMTYRERSERHEMQILSKPEFI
UniProtQ8BZP8
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5497
IUPHAR302
DrugBankN/A

Ligand

NameCHEMBL429312
Molecular formulaC90H158N32O28S
IUPAC name(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid
Molecular weight2168.51
Hydrogen bond acceptor36
Hydrogen bond donor38
XlogP-15.5
SynonymsN/A
Inchi KeyKTGGUEFPBMDAQC-GNRICNFPSA-N
Inchi IDInChI=1S/C90H158N32O28S/c1-46(2)69(120-67(131)41-104-74(135)61(39-65(97)129)117-78(139)57(27-19-36-103-90(100)101)114-76(137)53(23-11-15-32-92)110-73(134)51(95)43-123)85(146)105-42-68(132)121-70(48(4)126)86(147)106-40-66(130)108-59(30-37-151-6)81(142)111-54(24-12-16-33-93)77(138)112-55(25-13-17-34-94)82(143)122-71(49(5)127)87(148)118-62(44-124)84(145)116-60(38-50-20-8-7-9-21-50)83(144)115-58(28-29-64(96)128)80(141)113-56(26-18-35-102-89(98)99)75(136)107-47(3)72(133)109-52(22-10-14-31-91)79(140)119-63(45-125)88(149)150/h7-9,20-21,46-49,51-63,69-71,123-127H,10-19,22-45,91-95H2,1-6H3,(H2,96,128)(H2,97,129)(H,104,135)(H,105,146)(H,106,147)(H,107,136)(H,108,130)(H,109,133)(H,110,134)(H,111,142)(H,112,138)(H,113,141)(H,114,137)(H,115,144)(H,116,145)(H,117,139)(H,118,148)(H,119,140)(H,120,131)(H,121,132)(H,122,143)(H,149,150)(H4,98,99,102)(H4,100,101,103)/t47-,48+,49+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,69-,70-,71-/m0/s1
PubChem CID24778201
ChEMBLCHEMBL429312
IUPHARN/A
BindingDBN/A
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
Activity103.0 %PMID18181564ChEMBL

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