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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

NameCHEMBL399048
Molecular formulaC89H154N32O29S
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)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoyl]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 weight2168.47
Hydrogen bond acceptor36
Hydrogen bond donor38
XlogP-16.4
SynonymsN/A
Inchi KeyWOCYEXIEDYQRNO-LLTYZQOUSA-N
Inchi IDInChI=1S/C89H154N32O29S/c1-44(2)68(119-66(131)39-103-73(135)59(37-64(96)129)116-76(138)54(24-17-34-102-89(99)100)113-78(140)55(25-27-62(94)127)109-72(134)49(93)41-122)84(146)104-40-67(132)120-69(46(4)125)85(147)105-38-65(130)107-57(29-35-151-6)80(142)110-51(21-11-14-31-91)75(137)111-52(22-12-15-32-92)81(143)121-70(47(5)126)86(148)117-60(42-123)83(145)115-58(36-48-18-8-7-9-19-48)82(144)114-56(26-28-63(95)128)79(141)112-53(23-16-33-101-88(97)98)74(136)106-45(3)71(133)108-50(20-10-13-30-90)77(139)118-61(43-124)87(149)150/h7-9,18-19,44-47,49-61,68-70,122-126H,10-17,20-43,90-93H2,1-6H3,(H2,94,127)(H2,95,128)(H2,96,129)(H,103,135)(H,104,146)(H,105,147)(H,106,136)(H,107,130)(H,108,133)(H,109,134)(H,110,142)(H,111,137)(H,112,141)(H,113,140)(H,114,144)(H,115,145)(H,116,138)(H,117,148)(H,118,139)(H,119,131)(H,120,132)(H,121,143)(H,149,150)(H4,97,98,101)(H4,99,100,102)/t45-,46+,47+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,68-,69-,70-/m0/s1
PubChem CID24778203
ChEMBLCHEMBL399048
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
Activity54.0 %PMID18181564ChEMBL

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