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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

NameCHEMBL405721
Molecular formulaC71H108N24O14
IUPAC name(3R)-4-[[(2S)-1-[[(2S)-1-[[(2S)-3-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S,3S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoic acid
Molecular weight1521.8
Hydrogen bond acceptor20
Hydrogen bond donor22
XlogP-6.0
SynonymsBDBM50138767
Inchi KeyDKSBAVQKSKSMOJ-ZOMWOLFZSA-N
Inchi IDInChI=1S/C71H108N24O14/c1-3-39(2)57(67(108)89-50(22-13-31-84-71(80)81)68(109)95-32-14-23-55(95)66(107)86-47(58(75)99)19-9-10-28-72)94-61(102)49(21-12-30-83-70(78)79)87-60(101)48(20-11-29-82-69(76)77)88-65(106)54(37-73)93-62(103)51(34-40-15-5-4-6-16-40)91-63(104)52(35-42-38-85-46-18-8-7-17-44(42)46)92-64(105)53(36-56(97)98)90-59(100)45(74)33-41-24-26-43(96)27-25-41/h4-8,15-18,24-27,38-39,45,47-55,57,85,96H,3,9-14,19-23,28-37,72-74H2,1-2H3,(H2,75,99)(H,86,107)(H,87,101)(H,88,106)(H,89,108)(H,90,100)(H,91,104)(H,92,105)(H,93,103)(H,94,102)(H,97,98)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t39-,45-,47-,48-,49-,50-,51-,52-,53+,54-,55-,57-/m0/s1
PubChem CID25075919
ChEMBLCHEMBL405721
IUPHARN/A
BindingDB50138767
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
Ki1.34 nMPMID14711314BindingDB,ChEMBL

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