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GPCR

NameNociceptin receptor
SpeciesHomo sapiens (Human)
GeneOPRL1
SynonymMOR-C
KOR-3
NOP receptor
N/OFQ receptor
nociceptin receptor ORL1
[ Show all ]
DiseasePsychiatric disorder
Pain; Stress
Pain
Major depressive disorder
Inflammatory disease
[ Show all ]
Length370
Amino acid sequenceMEPLFPAPFWEVIYGSHLQGNLSLLSPNHSLLPPHLLLNASHGAFLPLGLKVTIVGLYLAVCVGGLLGNCLVMYVILRHTKMKTATNIYIFNLALADTLVLLTLPFQGTDILLGFWPFGNALCKTVIAIDYYNMFTSTFTLTAMSVDRYVAICHPIRALDVRTSSKAQAVNVAIWALASVVGVPVAIMGSAQVEDEEIECLVEIPTPQDYWGPVFAICIFLFSFIVPVLVISVCYSLMIRRLRGVRLLSGSREKDRNLRRITRLVLVVVAVFVGCWTPVQVFVLAQGLGVQPSSETAVAILRFCTALGYVNSCLNPILYAFLDENFKACFRKFCCASALRRDVQVSDRVRSIAKDVALACKTSETVPRPA
UniProtP41146
Protein Data Bank5dhg, 4ea3, 5dhh
GPCR-HGmod modelP41146
3D structure modelThis structure is from PDB ID 5dhg.
BioLiPBL0328039,BL0328040, BL0227293,BL0227294, BL0328041,BL0328042
Therapeutic Target DatabaseT52921
ChEMBLCHEMBL2014
IUPHAR320
DrugBankBE0002378

Ligand

NameCHEMBL411649
Molecular formulaC82H140FN35O21
IUPAC name(2S)-2-[[(2S)-6-amino-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-[[2-(benzylamino)acetyl]amino]acetyl]amino]acetyl]amino]-3-(4-fluorophenyl)propanoyl]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]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-N-[(2S)-5-(diaminoamino)-1-hydrazinyl-1,5-dioxopentan-2-yl]butanediamide
Molecular weight1971.24
Hydrogen bond acceptor32
Hydrogen bond donor33
XlogP-13.2
SynonymsN/A
Inchi KeyGWLOPDSPROHMLL-QJBMDLFOSA-N
Inchi IDInChI=1S/C82H140FN35O21/c1-44(104-63(124)42-103-79(139)66(46(3)120)116-76(136)57(36-47-24-26-49(83)27-25-47)106-64(125)41-102-62(123)40-101-61(122)39-97-38-48-16-5-4-6-17-48)67(127)107-53(21-13-33-98-80(88)89)70(130)111-52(20-9-12-32-86)74(134)115-59(43-119)77(137)105-45(2)68(128)108-54(22-14-34-99-81(90)91)71(131)109-50(18-7-10-30-84)69(129)112-55(23-15-35-100-82(92)93)72(132)110-51(19-8-11-31-85)73(133)114-58(37-60(87)121)75(135)113-56(78(138)117-94)28-29-65(126)118(95)96/h4-6,16-17,24-27,44-46,50-59,66,97,119-120H,7-15,18-23,28-43,84-86,94-96H2,1-3H3,(H2,87,121)(H,101,122)(H,102,123)(H,103,139)(H,104,124)(H,105,137)(H,106,125)(H,107,127)(H,108,128)(H,109,131)(H,110,132)(H,111,130)(H,112,129)(H,113,135)(H,114,133)(H,115,134)(H,116,136)(H,117,138)(H4,88,89,98)(H4,90,91,99)(H4,92,93,100)/t44-,45-,46+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,66-/m0/s1
PubChem CID44388474
ChEMBLCHEMBL411649
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
EC500.4074 nMPMID15743186ChEMBL
EC504.898 nMPMID15743186ChEMBL
Emax2.03 -PMID15743186ChEMBL
Emax91.0 %PMID15743186ChEMBL
Ki3.98107e+19 nMPMID15743186ChEMBL
pKb9.71 -PMID15743186ChEMBL

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