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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

NameCHEMBL398483
Molecular formulaC94H157N31O28S
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-(2-methylphenyl)propanoyl]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 weight2201.54
Hydrogen bond acceptor35
Hydrogen bond donor37
XlogP-13.3
SynonymsN/A
Inchi KeyAQOVGYTWJMXUMB-AMESULNGSA-N
Inchi IDInChI=1S/C94H157N31O28S/c1-48(2)73(123-71(134)43-107-78(138)65(41-69(100)132)120-81(141)60(29-20-37-106-94(103)104)116-87(147)64(118-77(137)55(98)45-126)40-54-24-12-11-21-49(54)3)89(149)108-44-72(135)124-74(51(5)129)90(150)109-42-70(133)111-62(32-38-154-7)84(144)113-57(26-14-17-34-96)80(140)114-58(27-15-18-35-97)85(145)125-75(52(6)130)91(151)121-66(46-127)88(148)119-63(39-53-22-9-8-10-23-53)86(146)117-61(30-31-68(99)131)83(143)115-59(28-19-36-105-93(101)102)79(139)110-50(4)76(136)112-56(25-13-16-33-95)82(142)122-67(47-128)92(152)153/h8-12,21-24,48,50-52,55-67,73-75,126-130H,13-20,25-47,95-98H2,1-7H3,(H2,99,131)(H2,100,132)(H,107,138)(H,108,149)(H,109,150)(H,110,139)(H,111,133)(H,112,136)(H,113,144)(H,114,140)(H,115,143)(H,116,147)(H,117,146)(H,118,137)(H,119,148)(H,120,141)(H,121,151)(H,122,142)(H,123,134)(H,124,135)(H,125,145)(H,152,153)(H4,101,102,105)(H4,103,104,106)/t50-,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/m0/s1
PubChem CID24778080
ChEMBLCHEMBL398483
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
EC501.862 nMPMID18181564ChEMBL
Emax222.0 %PMID18181564ChEMBL

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