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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

NameCHEMBL524649
Molecular formulaC101H163N31O28S2
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-[[(2S)-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-benzylsulfanylpropanoyl]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 weight2323.72
Hydrogen bond acceptor36
Hydrogen bond donor37
XlogP-11.5
SynonymsN/A
Inchi KeyBEFDPXRZQRIUBK-VAECNPTQSA-N
Inchi IDInChI=1S/C101H163N31O28S2/c1-54(2)79(131-95(155)74(53-162-52-60-28-14-9-15-29-60)129-93(153)71(46-76(107)139)126-86(146)66(34-23-42-113-101(110)111)122-91(151)69(124-83(143)61(105)49-133)44-58-24-10-7-11-25-58)96(156)114-48-78(141)130-80(56(4)136)97(157)115-47-77(140)117-68(37-43-161-6)89(149)119-63(31-17-20-39-103)85(145)120-64(32-18-21-40-104)90(150)132-81(57(5)137)98(158)127-72(50-134)94(154)125-70(45-59-26-12-8-13-27-59)92(152)123-67(35-36-75(106)138)88(148)121-65(33-22-41-112-100(108)109)84(144)116-55(3)82(142)118-62(30-16-19-38-102)87(147)128-73(51-135)99(159)160/h7-15,24-29,54-57,61-74,79-81,133-137H,16-23,30-53,102-105H2,1-6H3,(H2,106,138)(H2,107,139)(H,114,156)(H,115,157)(H,116,144)(H,117,140)(H,118,142)(H,119,149)(H,120,145)(H,121,148)(H,122,151)(H,123,152)(H,124,143)(H,125,154)(H,126,146)(H,127,158)(H,128,147)(H,129,153)(H,130,141)(H,131,155)(H,132,150)(H,159,160)(H4,108,109,112)(H4,110,111,113)/t55-,56+,57+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74+,79-,80-,81-/m0/s1
PubChem CID25193413
ChEMBLCHEMBL524649
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
pKb7.22 -PMID19113861ChEMBL

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