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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

NameCHEMBL437199
Molecular formulaC93H155N31O29S
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-(4-hydroxyphenyl)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 weight2203.51
Hydrogen bond acceptor36
Hydrogen bond donor38
XlogP-14.0
SynonymsN/A
Inchi KeyQIZAHWPCUKCBRQ-XNAUDWGHSA-N
Inchi IDInChI=1S/C93H155N31O29S/c1-47(2)72(122-70(134)42-106-77(138)64(40-68(99)132)119-80(141)59(24-17-36-105-93(102)103)115-85(146)62(117-76(137)54(97)44-125)39-52-25-27-53(130)28-26-52)88(149)107-43-71(135)123-73(49(4)128)89(150)108-41-69(133)110-61(31-37-154-6)83(144)112-56(21-11-14-33-95)79(140)113-57(22-12-15-34-96)84(145)124-74(50(5)129)90(151)120-65(45-126)87(148)118-63(38-51-18-8-7-9-19-51)86(147)116-60(29-30-67(98)131)82(143)114-58(23-16-35-104-92(100)101)78(139)109-48(3)75(136)111-55(20-10-13-32-94)81(142)121-66(46-127)91(152)153/h7-9,18-19,25-28,47-50,54-66,72-74,125-130H,10-17,20-24,29-46,94-97H2,1-6H3,(H2,98,131)(H2,99,132)(H,106,138)(H,107,149)(H,108,150)(H,109,139)(H,110,133)(H,111,136)(H,112,144)(H,113,140)(H,114,143)(H,115,146)(H,116,147)(H,117,137)(H,118,148)(H,119,141)(H,120,151)(H,121,142)(H,122,134)(H,123,135)(H,124,145)(H,152,153)(H4,100,101,104)(H4,102,103,105)/t48-,49+,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
PubChem CID24778072
ChEMBLCHEMBL437199
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
EC502.344 nMPMID18181564ChEMBL
Emax312.0 %PMID18181564ChEMBL

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