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GPCR

NameKappa-type opioid receptor
SpeciesHomo sapiens (Human)
GeneOPRK1
SynonymK-OR-1
KOPr
OP2
KOP
KOR-1
[ Show all ]
DiseaseObesity
Opiate dependence
Inflammatory bowel disease
Erythema
Diarrhea-predominant IBS
[ Show all ]
Length380
Amino acid sequenceMDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
UniProtP41145
Protein Data Bank6b73, 4djh
GPCR-HGmod modelP41145
3D structure modelThis structure is from PDB ID 6b73.
BioLiPBL0402244,BL0402246, BL0224693,BL0224694, BL0402243,BL0402245
Therapeutic Target DatabaseT60693
ChEMBLCHEMBL237
IUPHAR318
DrugBankBE0000632

Ligand

NameUFP-112
Molecular formulaC83H139FN32O21
IUPAC name(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]pentanediamide
Molecular weight1940.23
Hydrogen bond acceptor29
Hydrogen bond donor34
XlogP-10.7
SynonymsGTPL3917
UFP112
CHEMBL409969
UFP 112
[(pF)Phe4Aib7Arg14Lys15]N/OFQ-NH2
[ Show all ]
Inchi KeyGVIRJSRJRJCCJE-HCYVKCTOSA-N
Inchi IDInChI=1S/C83H139FN32O21/c1-44(67(125)107-54(22-14-34-98-80(92)93)70(128)108-51(19-8-11-31-85)69(127)111-55(23-15-35-99-81(94)95)71(129)109-52(20-9-12-32-86)72(130)112-58(39-61(90)120)75(133)106-50(66(91)124)29-30-60(89)119)104-77(135)59(43-117)113-73(131)53(21-10-13-33-87)110-74(132)56(24-16-36-100-82(96)97)114-79(137)83(3,4)116-64(123)42-103-78(136)65(45(2)118)115-76(134)57(38-47-25-27-48(84)28-26-47)105-63(122)41-101-62(121)40-102-68(126)49(88)37-46-17-6-5-7-18-46/h5-7,17-18,25-28,44-45,49-59,65,117-118H,8-16,19-24,29-43,85-88H2,1-4H3,(H2,89,119)(H2,90,120)(H2,91,124)(H,101,121)(H,102,126)(H,103,136)(H,104,135)(H,105,122)(H,106,133)(H,107,125)(H,108,128)(H,109,129)(H,110,132)(H,111,127)(H,112,130)(H,113,131)(H,114,137)(H,115,134)(H,116,123)(H4,92,93,98)(H4,94,95,99)(H4,96,97,100)/t44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
PubChem CID44430609
ChEMBLCHEMBL409969
IUPHAR3917
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
Ki4.365 nMPMID17490886ChEMBL

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