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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

NameCHEMBL452889
Molecular formulaC93H154N30O29S
IUPAC name(3S)-4-[[2-[[(2S)-1-[[2-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoic acid
Molecular weight2188.5
Hydrogen bond acceptor36
Hydrogen bond donor37
XlogP-15.3
SynonymsN/A
Inchi KeyINBVUMAPJIBNBM-XJEBPGRNSA-N
Inchi IDInChI=1S/C93H154N30O29S/c1-48(2)72(121-69(131)43-105-77(137)64(41-71(133)134)118-80(140)59(29-20-37-104-93(101)102)114-85(145)62(116-76(136)54(97)45-124)39-52-21-9-7-10-22-52)88(148)106-44-70(132)122-73(50(4)127)89(149)107-42-68(130)109-61(32-38-153-6)83(143)111-56(26-14-17-34-95)79(139)112-57(27-15-18-35-96)84(144)123-74(51(5)128)90(150)119-65(46-125)87(147)117-63(40-53-23-11-8-12-24-53)86(146)115-60(30-31-67(98)129)82(142)113-58(28-19-36-103-92(99)100)78(138)108-49(3)75(135)110-55(25-13-16-33-94)81(141)120-66(47-126)91(151)152/h7-12,21-24,48-51,54-66,72-74,124-128H,13-20,25-47,94-97H2,1-6H3,(H2,98,129)(H,105,137)(H,106,148)(H,107,149)(H,108,138)(H,109,130)(H,110,135)(H,111,143)(H,112,139)(H,113,142)(H,114,145)(H,115,146)(H,116,136)(H,117,147)(H,118,140)(H,119,150)(H,120,141)(H,121,131)(H,122,132)(H,123,144)(H,133,134)(H,151,152)(H4,99,100,103)(H4,101,102,104)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
PubChem CID44580142
ChEMBLCHEMBL452889
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
Activity146.0 %PMID18793857ChEMBL

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