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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

NameCHEMBL498862
Molecular formulaC102H162N32O28S
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-[[(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-(1H-indol-3-yl)propanoyl]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 weight2316.67
Hydrogen bond acceptor35
Hydrogen bond donor38
XlogP-11.5
SynonymsN/A
Inchi KeyQMRXQUWVHKPRCR-USXTUVCZSA-N
Inchi IDInChI=1S/C102H162N32O28S/c1-53(2)80(133-95(156)72(45-59-47-115-62-28-14-13-27-60(59)62)128-94(155)73(46-77(108)141)129-87(148)67(33-22-41-114-102(111)112)124-92(153)70(126-84(145)61(106)50-135)43-57-23-9-7-10-24-57)97(158)116-49-79(143)132-81(55(4)138)98(159)117-48-78(142)119-69(36-42-163-6)90(151)121-64(30-16-19-38-104)86(147)122-65(31-17-20-39-105)91(152)134-82(56(5)139)99(160)130-74(51-136)96(157)127-71(44-58-25-11-8-12-26-58)93(154)125-68(34-35-76(107)140)89(150)123-66(32-21-40-113-101(109)110)85(146)118-54(3)83(144)120-63(29-15-18-37-103)88(149)131-75(52-137)100(161)162/h7-14,23-28,47,53-56,61,63-75,80-82,115,135-139H,15-22,29-46,48-52,103-106H2,1-6H3,(H2,107,140)(H2,108,141)(H,116,158)(H,117,159)(H,118,146)(H,119,142)(H,120,144)(H,121,151)(H,122,147)(H,123,150)(H,124,153)(H,125,154)(H,126,145)(H,127,157)(H,128,155)(H,129,148)(H,130,160)(H,131,149)(H,132,143)(H,133,156)(H,134,152)(H,161,162)(H4,109,110,113)(H4,111,112,114)/t54-,55+,56+,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,80-,81-,82-/m0/s1
PubChem CID25193415
ChEMBLCHEMBL498862
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
Emax30.0 %PMID19113861ChEMBL
pKb>6.0 -PMID19113861ChEMBL

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