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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

NameCHEMBL526551
Molecular formulaC93H155N29O28S
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)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]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 weight2159.5
Hydrogen bond acceptor35
Hydrogen bond donor35
XlogP-13.1
SynonymsN/A
Inchi KeyGAXLGYSIHAYPLD-AMESULNGSA-N
Inchi IDInChI=1S/C93H155N29O28S/c1-49(2)73(120-71(131)44-104-78(135)65(42-69(100)129)117-81(138)58(28-15-19-36-96)113-86(143)63(115-77(134)55(98)46-123)40-53-22-9-7-10-23-53)89(146)105-45-72(132)121-74(51(4)126)90(147)106-43-70(130)108-62(33-39-151-6)84(141)110-57(27-14-18-35-95)80(137)111-59(29-16-20-37-97)85(142)122-75(52(5)127)91(148)118-66(47-124)88(145)116-64(41-54-24-11-8-12-25-54)87(144)114-61(31-32-68(99)128)83(140)112-60(30-21-38-103-93(101)102)79(136)107-50(3)76(133)109-56(26-13-17-34-94)82(139)119-67(48-125)92(149)150/h7-12,22-25,49-52,55-67,73-75,123-127H,13-21,26-48,94-98H2,1-6H3,(H2,99,128)(H2,100,129)(H,104,135)(H,105,146)(H,106,147)(H,107,136)(H,108,130)(H,109,133)(H,110,141)(H,111,137)(H,112,140)(H,113,143)(H,114,144)(H,115,134)(H,116,145)(H,117,138)(H,118,148)(H,119,139)(H,120,131)(H,121,132)(H,122,142)(H,149,150)(H4,101,102,103)/t50-,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/m0/s1
PubChem CID44580124
ChEMBLCHEMBL526551
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
EC5018.2 nMPMID18793857ChEMBL
Emax290.0 %PMID18793857ChEMBL

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