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GPCR

NameNociceptin receptor
SpeciesHomo sapiens (Human)
GeneOPRL1
SynonymOrphanin FQ receptor
OP4
NOPr
NOP-r
NOP receptor
[ Show all ]
DiseaseInflammatory disease
Major depressive disorder
Central nervous system disease
Heart failure
Anxiety disorder
[ Show all ]
Length370
Amino acid sequenceMEPLFPAPFWEVIYGSHLQGNLSLLSPNHSLLPPHLLLNASHGAFLPLGLKVTIVGLYLAVCVGGLLGNCLVMYVILRHTKMKTATNIYIFNLALADTLVLLTLPFQGTDILLGFWPFGNALCKTVIAIDYYNMFTSTFTLTAMSVDRYVAICHPIRALDVRTSSKAQAVNVAIWALASVVGVPVAIMGSAQVEDEEIECLVEIPTPQDYWGPVFAICIFLFSFIVPVLVISVCYSLMIRRLRGVRLLSGSREKDRNLRRITRLVLVVVAVFVGCWTPVQVFVLAQGLGVQPSSETAVAILRFCTALGYVNSCLNPILYAFLDENFKACFRKFCCASALRRDVQVSDRVRSIAKDVALACKTSETVPRPA
UniProtP41146
Protein Data Bank5dhh, 5dhg, 4ea3
GPCR-HGmod modelP41146
3D structure modelThis structure is from PDB ID 5dhh.
BioLiPBL0328039,BL0328040, BL0328041,BL0328042, BL0227293,BL0227294
Therapeutic Target DatabaseT52921
ChEMBLCHEMBL2014
IUPHAR320
DrugBankBE0002378

Ligand

NameCID 100916438
Molecular formulaC79H130N28O21
IUPAC name(2S)-2-[[(2S)-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-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxyhexylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]pentanediimidic acid
Molecular weight1808.08
Hydrogen bond acceptor45
Hydrogen bond donor33
XlogP2.1
SynonymsN/A
Inchi KeyFNKQAWOMLOQFHU-SMFNREODSA-N
Inchi IDInChI=1S/C79H130N28O21/c1-41(2)33-54(73(124)96-44(5)67(118)104-56(36-59(84)111)74(125)99-49(64(85)115)27-28-58(83)110)105-71(122)50(23-13-15-29-80)102-70(121)53(26-18-32-91-79(88)89)101-66(117)43(4)97-76(127)57(40-108)106-72(123)51(24-14-16-30-81)103-69(120)52(25-17-31-90-78(86)87)100-65(116)42(3)95-61(113)39-94-77(128)63(45(6)109)107-75(126)55(35-47-21-11-8-12-22-47)98-62(114)38-92-60(112)37-93-68(119)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,108-109H,13-18,23-40,80-82H2,1-6H3,(H2,83,110)(H2,84,111)(H2,85,115)(H,92,112)(H,93,119)(H,94,128)(H,95,113)(H,96,124)(H,97,127)(H,98,114)(H,99,125)(H,100,116)(H,101,117)(H,102,121)(H,103,120)(H,104,118)(H,105,122)(H,106,123)(H,107,126)(H4,86,87,90)(H4,88,89,91)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
PubChem CID100916438
ChEMBLCHEMBL389521
IUPHARN/A
BindingDB50333104
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
EC501.1 nMPMID19879767BindingDB
EC503.91 nMPMID18068993BindingDB
EC5013.0 nMPMID19879767BindingDB
IC500.21 nMPMID19879767BindingDB
IC500.29 nMPMID23582449BindingDB
IC500.6 nMPMID18068993BindingDB
IC500.72 nMPMID19879767BindingDB
IC501.3 nMPMID27876250BindingDB,ChEMBL
IC501.5 nMPMID23466604BindingDB
Kd0.092 nMPMID19879767BindingDB
Ki0.48 nMPMID23466604BindingDB

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