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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

NameCHEMBL453962
Molecular formulaC93H156N30O28S
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,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]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 weight2174.51
Hydrogen bond acceptor35
Hydrogen bond donor37
XlogP-12.7
SynonymsN/A
Inchi KeyLHYTYPWJWYNCJE-PMQYQNHMSA-N
Inchi IDInChI=1S/C93H156N30O28S/c1-48(2)71(120-69(132)43-107-89(148)73(51(5)128)122-83(142)60(30-21-38-104-93(101)102)114-84(143)63(116-76(135)55(97)45-124)40-53-22-10-8-11-23-53)87(146)105-44-70(133)121-72(50(4)127)88(147)106-42-68(131)109-62(33-39-152-7)81(140)111-57(27-15-18-35-95)78(137)112-58(28-16-19-36-96)82(141)123-74(52(6)129)90(149)118-65(46-125)86(145)117-64(41-54-24-12-9-13-25-54)85(144)115-61(31-32-67(98)130)80(139)113-59(29-20-37-103-92(99)100)77(136)108-49(3)75(134)110-56(26-14-17-34-94)79(138)119-66(47-126)91(150)151/h8-13,22-25,48-52,55-66,71-74,124-129H,14-21,26-47,94-97H2,1-7H3,(H2,98,130)(H,105,146)(H,106,147)(H,107,148)(H,108,136)(H,109,131)(H,110,134)(H,111,140)(H,112,137)(H,113,139)(H,114,143)(H,115,144)(H,116,135)(H,117,145)(H,118,149)(H,119,138)(H,120,132)(H,121,133)(H,122,142)(H,123,141)(H,150,151)(H4,99,100,103)(H4,101,102,104)/t49-,50+,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,71-,72-,73-,74-/m0/s1
PubChem CID44580144
ChEMBLCHEMBL453962
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
EC50102.33 nMPMID18793857ChEMBL
Emax253.0 %PMID18793857ChEMBL

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