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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

NameCHEMBL411571
Molecular formulaC94H155N31O28S
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-[[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-1,3-dihydroindene-2-carbonyl]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 weight2199.52
Hydrogen bond acceptor35
Hydrogen bond donor37
XlogP-13.2
SynonymsN/A
Inchi KeyUJQWQSLHDRHABV-PTFSQNRDSA-N
Inchi IDInChI=1S/C94H155N31O28S/c1-48(2)72(122-70(134)43-107-77(138)64(39-68(100)132)118-81(142)60(28-19-36-106-93(103)104)121-91(153)94(125-76(137)55(98)45-126)40-53-22-10-11-23-54(53)41-94)87(148)108-44-71(135)123-73(50(4)129)88(149)109-42-69(133)111-62(31-37-154-6)83(144)113-57(25-13-16-33-96)79(140)114-58(26-14-17-34-97)84(145)124-74(51(5)130)89(150)119-65(46-127)86(147)117-63(38-52-20-8-7-9-21-52)85(146)116-61(29-30-67(99)131)82(143)115-59(27-18-35-105-92(101)102)78(139)110-49(3)75(136)112-56(24-12-15-32-95)80(141)120-66(47-128)90(151)152/h7-11,20-23,48-51,55-66,72-74,126-130H,12-19,24-47,95-98H2,1-6H3,(H2,99,131)(H2,100,132)(H,107,138)(H,108,148)(H,109,149)(H,110,139)(H,111,133)(H,112,136)(H,113,144)(H,114,140)(H,115,143)(H,116,146)(H,117,147)(H,118,142)(H,119,150)(H,120,141)(H,121,153)(H,122,134)(H,123,135)(H,124,145)(H,125,137)(H,151,152)(H4,101,102,105)(H4,103,104,106)/t49-,50+,51+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
PubChem CID24778213
ChEMBLCHEMBL411571
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
EC5033.88 nMPMID18181564ChEMBL
Emax211.0 %PMID18181564ChEMBL

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