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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

NameCHEMBL3634922
Molecular formulaC65H95N23O14
IUPAC name(6S,9S,12R)-12-[[(2S)-2-[[2-[[2-[[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]-6,9-bis[3-(diaminomethylideneamino)propyl]-5,8,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-3-carboxamide
Molecular weight1422.62
Hydrogen bond acceptor18
Hydrogen bond donor20
XlogP-5.2
SynonymsBDBM50133222
Inchi KeyCMGGMCDLCFXOSB-YZDZIJTDSA-N
Inchi IDInChI=1S/C65H95N23O14/c66-26-8-7-17-41(53(67)93)81-61(101)49-21-12-30-88(49)62(102)44(20-11-29-76-65(72)73)84-60(100)48-34-77-50(90)33-47(59(99)83-42(18-9-27-74-63(68)69)56(96)82-43(57(97)87-48)19-10-28-75-64(70)71)86-58(98)46(31-37-13-3-1-4-14-37)80-52(92)36-78-51(91)35-79-55(95)45(32-38-22-24-40(89)25-23-38)85-54(94)39-15-5-2-6-16-39/h1-6,13-16,22-25,41-49,89H,7-12,17-21,26-36,66H2,(H2,67,93)(H,77,90)(H,78,91)(H,79,95)(H,80,92)(H,81,101)(H,82,96)(H,83,99)(H,84,100)(H,85,94)(H,86,98)(H,87,97)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t41-,42-,43-,44-,45-,46-,47+,48?,49-/m0/s1
PubChem CID122196445
ChEMBLCHEMBL3634922
IUPHARN/A
BindingDB50133222
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
FC0.28 -PMID26491810ChEMBL
Ki346.0 nMPMID26491810BindingDB,ChEMBL

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