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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

NameCHEMBL525806
Molecular formulaC100H161N31O30S2
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]-5-[[N-(4-methylphenyl)sulfonylcarbamimidoyl]amino]pentanoyl]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 weight2341.7
Hydrogen bond acceptor37
Hydrogen bond donor37
XlogP-11.8
SynonymsN/A
Inchi KeyNCOQEJJVAVLIDS-FNBOSUHSSA-N
Inchi IDInChI=1S/C100H161N31O30S2/c1-53(2)79(128-77(140)48-112-84(144)71(46-75(106)138)125-87(147)66(30-21-42-111-100(109)131-163(160,161)60-33-31-54(3)32-34-60)121-92(152)69(123-83(143)61(104)50-132)44-58-22-10-8-11-23-58)95(155)113-49-78(141)129-80(56(5)135)96(156)114-47-76(139)116-68(37-43-162-7)90(150)118-63(27-15-18-39-102)86(146)119-64(28-16-19-40-103)91(151)130-81(57(6)136)97(157)126-72(51-133)94(154)124-70(45-59-24-12-9-13-25-59)93(153)122-67(35-36-74(105)137)89(149)120-65(29-20-41-110-99(107)108)85(145)115-55(4)82(142)117-62(26-14-17-38-101)88(148)127-73(52-134)98(158)159/h8-13,22-25,31-34,53,55-57,61-73,79-81,132-136H,14-21,26-30,35-52,101-104H2,1-7H3,(H2,105,137)(H2,106,138)(H,112,144)(H,113,155)(H,114,156)(H,115,145)(H,116,139)(H,117,142)(H,118,150)(H,119,146)(H,120,149)(H,121,152)(H,122,153)(H,123,143)(H,124,154)(H,125,147)(H,126,157)(H,127,148)(H,128,140)(H,129,141)(H,130,151)(H,158,159)(H4,107,108,110)(H3,109,111,131)/t55-,56+,57+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,79-,80-,81-/m0/s1
PubChem CID44580137
ChEMBLCHEMBL525806
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
Activity104.0 %PMID18793857ChEMBL

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