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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

NameCHEMBL525271
Molecular formulaC92H152N28O28S
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]-3-methylbutanoyl]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 weight2130.46
Hydrogen bond acceptor34
Hydrogen bond donor34
XlogP-11.9
SynonymsN/A
Inchi KeyMFRJPYNTSVLFLI-CUTMRTJNSA-N
Inchi IDInChI=1S/C92H152N28O28S/c1-47(2)71(117-69(129)42-102-77(133)63(40-67(98)127)114-89(145)72(48(3)4)119-85(141)62(112-76(132)54(96)44-121)39-53-24-13-10-14-25-53)87(143)103-43-70(130)118-73(50(6)124)88(144)104-41-68(128)106-60(32-37-149-8)82(138)108-56(27-16-19-34-94)79(135)109-57(28-17-20-35-95)83(139)120-74(51(7)125)90(146)115-64(45-122)86(142)113-61(38-52-22-11-9-12-23-52)84(140)111-59(30-31-66(97)126)81(137)110-58(29-21-36-101-92(99)100)78(134)105-49(5)75(131)107-55(26-15-18-33-93)80(136)116-65(46-123)91(147)148/h9-14,22-25,47-51,54-65,71-74,121-125H,15-21,26-46,93-96H2,1-8H3,(H2,97,126)(H2,98,127)(H,102,133)(H,103,143)(H,104,144)(H,105,134)(H,106,128)(H,107,131)(H,108,138)(H,109,135)(H,110,137)(H,111,140)(H,112,132)(H,113,142)(H,114,145)(H,115,146)(H,116,136)(H,117,129)(H,118,130)(H,119,141)(H,120,139)(H,147,148)(H4,99,100,101)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-,72-,73-,74-/m0/s1
PubChem CID44580117
ChEMBLCHEMBL525271
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
Activity129.0 %PMID18793857ChEMBL

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