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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

NameCHEMBL526895
Molecular formulaC97H162N30O26S
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-[[(2R)-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-cyclohexylpropanoyl]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 weight2196.61
Hydrogen bond acceptor33
Hydrogen bond donor35
XlogP-9.2
SynonymsN/A
Inchi KeyNVXSFSAWUZODTF-BVKFPJRNSA-N
Inchi IDInChI=1S/C97H162N30O26S/c1-52(2)76(126-90(147)69(46-58-28-14-9-15-29-58)121-89(146)70(47-73(103)133)123-83(140)63(34-23-42-109-97(106)107)117-87(144)67(120-80(137)59(101)50-128)44-56-24-10-7-11-25-56)92(149)110-49-75(135)125-77(54(4)130)93(150)111-48-74(134)113-65(37-43-154-6)85(142)114-60(30-16-19-38-98)82(139)115-61(31-17-20-39-99)86(143)127-78(55(5)131)94(151)124-71(51-129)91(148)122-68(45-57-26-12-8-13-27-57)88(145)118-64(35-36-72(102)132)84(141)116-62(33-22-41-108-96(104)105)81(138)112-53(3)79(136)119-66(95(152)153)32-18-21-40-100/h7-8,10-13,24-27,52-55,58-71,76-78,128-131H,9,14-23,28-51,98-101H2,1-6H3,(H2,102,132)(H2,103,133)(H,110,149)(H,111,150)(H,112,138)(H,113,134)(H,114,142)(H,115,139)(H,116,141)(H,117,144)(H,118,145)(H,119,136)(H,120,137)(H,121,146)(H,122,148)(H,123,140)(H,124,151)(H,125,135)(H,126,147)(H,127,143)(H,152,153)(H4,104,105,108)(H4,106,107,109)/t53-,54+,55+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70-,71-,76-,77-,78-/m0/s1
PubChem CID44583406
ChEMBLCHEMBL526895
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
pKb>5.0 -PMID19473027ChEMBL

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