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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

NameCHEMBL505174
Molecular formulaC91H150N28O28S
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)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]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 weight2116.43
Hydrogen bond acceptor34
Hydrogen bond donor34
XlogP-12.3
SynonymsN/A
Inchi KeyOZFRGCDWCOSNQG-VXZFMANQSA-N
Inchi IDInChI=1S/C91H150N28O28S/c1-8-54(106-84(140)61(112-75(131)53(95)44-120)38-51-22-11-9-12-23-51)77(133)114-63(40-67(97)126)76(132)101-42-69(128)117-71(47(2)3)87(143)102-43-70(129)118-72(49(5)123)88(144)103-41-68(127)105-60(32-37-148-7)82(138)108-56(27-16-19-34-93)79(135)109-57(28-17-20-35-94)83(139)119-73(50(6)124)89(145)115-64(45-121)86(142)113-62(39-52-24-13-10-14-25-52)85(141)111-59(30-31-66(96)125)81(137)110-58(29-21-36-100-91(98)99)78(134)104-48(4)74(130)107-55(26-15-18-33-92)80(136)116-65(46-122)90(146)147/h9-14,22-25,47-50,53-65,71-73,120-124H,8,15-21,26-46,92-95H2,1-7H3,(H2,96,125)(H2,97,126)(H,101,132)(H,102,143)(H,103,144)(H,104,134)(H,105,127)(H,106,140)(H,107,130)(H,108,138)(H,109,135)(H,110,137)(H,111,141)(H,112,131)(H,113,142)(H,114,133)(H,115,145)(H,116,136)(H,117,128)(H,118,129)(H,119,139)(H,146,147)(H4,98,99,100)/t48-,49+,50+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-,72-,73-/m0/s1
PubChem CID44580129
ChEMBLCHEMBL505174
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
EC50512.86 nMPMID18793857ChEMBL
Emax218.0 %PMID18793857ChEMBL

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