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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

NameCHEMBL508167
Molecular formulaC100H161N31O28S
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-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]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 weight2277.64
Hydrogen bond acceptor35
Hydrogen bond donor37
XlogP-11.7
SynonymsN/A
Inchi KeyLGEULEBAALHHPP-XXJNOLKMSA-N
Inchi IDInChI=1S/C100H161N31O28S/c1-53(2)78(130-93(153)70(46-59-28-14-9-15-29-59)124-92(152)71(47-75(106)138)126-85(145)65(34-23-42-112-100(109)110)121-90(150)68(123-82(142)60(104)50-132)44-57-24-10-7-11-25-57)95(155)113-49-77(140)129-79(55(4)135)96(156)114-48-76(139)116-67(37-43-160-6)88(148)118-62(31-17-20-39-102)84(144)119-63(32-18-21-40-103)89(149)131-80(56(5)136)97(157)127-72(51-133)94(154)125-69(45-58-26-12-8-13-27-58)91(151)122-66(35-36-74(105)137)87(147)120-64(33-22-41-111-99(107)108)83(143)115-54(3)81(141)117-61(30-16-19-38-101)86(146)128-73(52-134)98(158)159/h7-15,24-29,53-56,60-73,78-80,132-136H,16-23,30-52,101-104H2,1-6H3,(H2,105,137)(H2,106,138)(H,113,155)(H,114,156)(H,115,143)(H,116,139)(H,117,141)(H,118,148)(H,119,144)(H,120,147)(H,121,150)(H,122,151)(H,123,142)(H,124,152)(H,125,154)(H,126,145)(H,127,157)(H,128,146)(H,129,140)(H,130,153)(H,131,149)(H,158,159)(H4,107,108,111)(H4,109,110,112)/t54-,55+,56+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,78-,79-,80-/m0/s1
PubChem CID25193410
ChEMBLCHEMBL508167
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
pKb6.27 -PMID19113861ChEMBL

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