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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

NameCHEMBL409555
Molecular formulaC93H155N31O28S
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]-benzylamino]acetyl]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 weight2187.51
Hydrogen bond acceptor35
Hydrogen bond donor36
XlogP-14.0
SynonymsN/A
Inchi KeyPFYJFWDOHYCBOH-PDIZSPQGSA-N
Inchi IDInChI=1S/C93H155N31O28S/c1-49(2)73(121-70(133)42-106-77(137)64(40-68(99)131)118-79(139)56(28-19-36-104-92(100)101)111-72(135)45-124(90(150)55(97)46-125)44-54-23-11-8-12-24-54)87(147)107-43-71(134)122-74(51(4)128)88(148)108-41-69(132)110-62(32-38-153-6)83(143)113-58(26-14-17-34-95)80(140)114-59(27-15-18-35-96)84(144)123-75(52(5)129)89(149)119-65(47-126)86(146)117-63(39-53-21-9-7-10-22-53)85(145)116-61(30-31-67(98)130)82(142)115-60(29-20-37-105-93(102)103)78(138)109-50(3)76(136)112-57(25-13-16-33-94)81(141)120-66(48-127)91(151)152/h7-12,21-24,49-52,55-66,73-75,125-129H,13-20,25-48,94-97H2,1-6H3,(H2,98,130)(H2,99,131)(H,106,137)(H,107,147)(H,108,148)(H,109,138)(H,110,132)(H,111,135)(H,112,136)(H,113,143)(H,114,140)(H,115,142)(H,116,145)(H,117,146)(H,118,139)(H,119,149)(H,120,141)(H,121,133)(H,122,134)(H,123,144)(H,151,152)(H4,100,101,104)(H4,102,103,105)/t50-,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,73-,74-,75-/m0/s1
PubChem CID24778211
ChEMBLCHEMBL409555
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
EC5015.49 nMPMID18181564ChEMBL
Emax246.0 %PMID18181564ChEMBL

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