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GPCR

NameKappa-type opioid receptor
SpeciesRattus norvegicus (Rat)
GeneOprk1
SynonymK-OR-1
kappa receptor
KOP
KOPr
KOR-1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMESPIQIFRGEPGPTCAPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAVLSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
UniProtP34975
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3614
IUPHAR318
DrugBankN/A

Ligand

NameCID 44459074
Molecular formulaC73H105N23O14
IUPAC name(2S)-6-amino-2-[[(2R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,8S,11S,14S)-2-[(4-hydroxyphenyl)methyl]-8,11-bis(1H-indol-3-ylmethyl)-3,6,9,12,17-pentaoxo-1,4,7,10,13-pentazacycloheptadecane-14-carbonyl]amino]pentanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
Molecular weight1528.79
Hydrogen bond acceptor18
Hydrogen bond donor21
XlogP-3.5
SynonymsN/A
Inchi KeyCASBZFCFDPGIIB-VHBDJONYSA-N
Inchi IDInChI=1S/C73H105N23O14/c1-3-40(2)60(68(107)92-52(21-12-32-83-73(79)80)69(108)96-33-13-22-57(96)67(106)93-53(70(109)110)18-8-9-29-74)95-64(103)50(20-11-31-82-72(77)78)90-62(101)49(19-10-30-81-71(75)76)89-63(102)51-27-28-58(98)87-54(34-41-23-25-44(97)26-24-41)61(100)86-39-59(99)88-55(35-42-37-84-47-16-6-4-14-45(42)47)65(104)94-56(66(105)91-51)36-43-38-85-48-17-7-5-15-46(43)48/h4-7,14-17,23-26,37-38,40,49-57,60,84-85,97H,3,8-13,18-22,27-36,39,74H2,1-2H3,(H,86,100)(H,87,98)(H,88,99)(H,89,102)(H,90,101)(H,91,105)(H,92,107)(H,93,106)(H,94,104)(H,95,103)(H,109,110)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t40-,49-,50-,51-,52-,53-,54-,55-,56-,57+,60-/m0/s1
PubChem CID44459074
ChEMBLCHEMBL414369
IUPHARN/A
BindingDB50126657
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
Inhibition8.0 %PMID12672226ChEMBL

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