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GPCR

NameNociceptin receptor
SpeciesRattus norvegicus (Rat)
GeneOprl1
SynonymNOP receptor
NOP-r
NOPr
OP4
Orphanin FQ receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length367
Amino acid sequenceMESLFPAPYWEVLYGSHFQGNLSLLNETVPHHLLLNASHSAFLPLGLKVTIVGLYLAVCIGGLLGNCLVMYVILRHTKMKTATNIYIFNLALADTLVLLTLPFQGTDILLGFWPFGNALCKTVIAIDYYNMFTSTFTLTAMSVDRYVAICHPIRALDVRTSSKAQAVNVAIWALASVVGVPVAIMGSAQVEDEEIECLVEIPAPQDYWGPVFAICIFLFSFIIPVLIISVCYSLMIRRLRGVRLLSGSREKDRNLRRITRLVLVVVAVFVGCWTPVQVFVLVQGLGVQPGSETAVAILRFCTALGYVNSCLNPILYAFLDENFKACFRKFCCASSLHREMQVSDRVRSIAKDVGLGCKTSETVPRPA
UniProtP35370
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4503
IUPHAR320
DrugBankN/A

Ligand

NameBDBM50274461
Molecular formulaC84H128N28O22
IUPAC name(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
Molecular weight1882.12
Hydrogen bond acceptor27
Hydrogen bond donor29
XlogP-10.6
SynonymsN/A
Inchi KeyMRPJNGQFWWZSQY-FMCSKRGOSA-N
Inchi IDInChI=1S/C84H128N28O22/c1-44(100-66(118)42-99-81(132)68(47(4)114)112-79(130)59(36-49-21-9-6-10-22-49)103-67(119)41-97-65(117)40-98-72(123)52(87)35-48-19-7-5-8-20-48)69(120)104-56(27-17-33-94-83(90)91)73(124)107-55(26-14-16-32-86)76(127)111-62(43-113)80(131)102-45(2)70(121)105-57(28-18-34-95-84(92)93)74(125)106-54(25-13-15-31-85)75(126)110-60(37-50-39-96-53-24-12-11-23-51(50)53)77(128)101-46(3)71(122)109-61(38-64(89)116)78(129)108-58(82(133)134)29-30-63(88)115/h5-12,19-24,39,44-47,52,54-62,68,96,113-114H,13-18,25-38,40-43,85-87H2,1-4H3,(H2,88,115)(H2,89,116)(H,97,117)(H,98,123)(H,99,132)(H,100,118)(H,101,128)(H,102,131)(H,103,119)(H,104,120)(H,105,121)(H,106,125)(H,107,124)(H,108,129)(H,109,122)(H,110,126)(H,111,127)(H,112,130)(H,133,134)(H4,90,91,94)(H4,92,93,95)/t44-,45-,46-,47+,52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,68-/m0/s1
PubChem CID91934914
ChEMBLCHEMBL504587
IUPHARN/A
BindingDB50274461
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
EC505.8 nMPMID19577933, PMID18818087BindingDB,ChEMBL
IC500.41 nMPMID19577933, PMID18818087BindingDB,ChEMBL
Ratio EC502.24 -PMID19577933ChEMBL
Ratio IC501.78 -PMID19577933ChEMBL

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