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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

NameCHEMBL527093
Molecular formulaC93H156N30O26S2
IUPAC name(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-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-3-methyl-3-sulfanylbutanoyl]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]hexanoic acid
Molecular weight2174.57
Hydrogen bond acceptor34
Hydrogen bond donor36
XlogP-11.4
SynonymsN/A
Inchi KeyUSWOWLAANZISNN-OICVZFAWSA-N
Inchi IDInChI=1S/C93H156N30O26S2/c1-48(2)70(121-89(147)73(93(6,7)150)123-84(142)64(43-67(99)129)118-78(136)58(31-22-39-105-92(102)103)113-82(140)62(116-75(133)54(97)46-124)41-52-23-11-9-12-24-52)86(144)106-45-69(131)120-71(50(4)126)87(145)107-44-68(130)109-60(34-40-151-8)80(138)110-55(27-15-18-35-94)77(135)111-56(28-16-19-36-95)81(139)122-72(51(5)127)88(146)119-65(47-125)85(143)117-63(42-53-25-13-10-14-26-53)83(141)114-59(32-33-66(98)128)79(137)112-57(30-21-38-104-91(100)101)76(134)108-49(3)74(132)115-61(90(148)149)29-17-20-37-96/h9-14,23-26,48-51,54-65,70-73,124-127,150H,15-22,27-47,94-97H2,1-8H3,(H2,98,128)(H2,99,129)(H,106,144)(H,107,145)(H,108,134)(H,109,130)(H,110,138)(H,111,135)(H,112,137)(H,113,140)(H,114,141)(H,115,132)(H,116,133)(H,117,143)(H,118,136)(H,119,146)(H,120,131)(H,121,147)(H,122,139)(H,123,142)(H,148,149)(H4,100,101,104)(H4,102,103,105)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,70-,71-,72-,73-/m0/s1
PubChem CID44583408
ChEMBLCHEMBL527093
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
pKb7.08 -PMID19473027ChEMBL

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