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GPCR

NameKappa-type opioid receptor
SpeciesBos taurus (Bovine)
GeneOPRK1
SynonymK-OR-1
KOR-1
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMEPPVQIFRGEPGPTCSPSTCLPPNGSGWFPGWAEPDGNGSAGSEDVLLEPAHISPVILVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKVVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWILSSSVGISAIVLGGTKVREDMEVIECSLQFPDDDYSWWDLFMKVCVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTAHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYVREVDGVNKPV
UniProtQ2KIP6
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL329996
Molecular formulaC34H38N6O5
IUPAC name(2R)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight610.715
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP2.4
SynonymsBDBM50095150
LS-105742
(R)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-amide
Inchi KeyZEXLJFNSKAHNFH-ZVVXMFRTSA-N
Inchi IDInChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30+/m0/s1
PubChem CID24841542
ChEMBLCHEMBL329996
IUPHARN/A
BindingDB50095150
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki21.0 nMPMID9694962BindingDB

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