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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

NameBDBM50413778
Molecular formulaC95H160N30O26S
IUPAC name(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-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-4,4-dimethylpentanoyl]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-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]hexanoic acid
Molecular weight2170.57
Hydrogen bond acceptor33
Hydrogen bond donor33
XlogP-11.0
SynonymsN/A
Inchi KeyCDXYNYYVYVUBGN-SVHLWNKKSA-N
Inchi IDInChI=1S/C95H160N30O26S/c1-50(2)73(124-87(145)67(45-95(6,7)8)121-86(144)66(44-70(101)131)120-80(138)60(32-23-40-107-94(104)105)115-84(142)64(118-77(135)56(99)48-126)42-54-24-12-10-13-25-54)89(147)108-47-72(133)123-74(52(4)128)90(148)109-46-71(132)111-62(35-41-152-9)82(140)112-57(28-16-19-36-96)79(137)113-58(29-17-20-37-97)83(141)125-75(53(5)129)91(149)122-68(49-127)88(146)119-65(43-55-26-14-11-15-27-55)85(143)116-61(33-34-69(100)130)81(139)114-59(31-22-39-106-93(102)103)78(136)110-51(3)76(134)117-63(92(150)151)30-18-21-38-98/h10-15,24-27,50-53,56-68,73-75,126-129H,16-23,28-49,96-99H2,1-9H3,(H2,100,130)(H2,101,131)(H,108,147)(H,109,148)(H,110,136)(H,111,132)(H,112,140)(H,113,137)(H,114,139)(H,115,142)(H,116,143)(H,117,134)(H,118,135)(H,119,146)(H,120,138)(H,121,144)(H,122,149)(H,123,133)(H,124,145)(H,125,141)(H,150,151)(H4,102,103,106)(H4,104,105,107)/t51-,52+,53+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,68-,73-,74-,75-/m0/s1
PubChem CID91900460
ChEMBLCHEMBL500443
IUPHARN/A
BindingDB50413778
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
EC501659.59 nMPMID19473027ChEMBL
EC501660.0 nMPMID19473027BindingDB
Emax104.0 %PMID19473027ChEMBL
pKb6.32 -PMID19473027ChEMBL

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