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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameKappa-type opioid receptor
SpeciesHomo sapiens (Human)
GeneOPRK1
SynonymKappa receptor
KOR-1
K-OR-1
OP2
KOPr
[ Show all ]
DiseaseUnspecified
Substance dependence
Pain
Opiate dependence
Obesity
[ Show all ]
Length380
Amino acid sequenceMDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
UniProtP41145
Protein Data Bank6b73, 4djh
GPCR-HGmod modelP41145
3D structure modelThis structure is from PDB ID 6b73.
BioLiPBL0402243,BL0402245, BL0402244,BL0402246, BL0224693,BL0224694
Therapeutic Target DatabaseT60693
ChEMBLCHEMBL237
IUPHAR318
DrugBankBE0000632

Known ligands

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Total entries: 6644
Page:  / 67 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
1362D structureCHEMBL1762411C35H45N5O2567.7786 / 46.2No
1682D structureCHEMBL2381177C30H37N3O4503.6436 / 35.8No
4416742D structureCHEMBL3409110C29H32FNO2445.5784 / 17.1No
3212D structureCHEMBL412600C61H96N20O131317.5717 / 18-3.5No
3262D structureCHEMBL387083C61H96N20O131317.5717 / 18-3.5No
4712D structureCHEMBL1642761C24H30N2346.5182 / 15.4No
5682D structureCHEMBL438965C25H25ClN2388.9391 / 16.4No
4416962D structureCHEMBL3394753C35H51FN4O4610.8158 / 26.2No
8622D structureCHEMBL125742C23H31N3O2381.524 / 13.0Yes
9472D structureCHEMBL2397017C30H29N3O4495.5796 / 24.2Yes
10142D structureCHEMBL2205816C18H20N2O280.3713 / 11.8Yes
12262D structureKUC105575NC21H18N4S358.4634 / 04.0Yes
5573362D structureSCHEMBL16034373C29H39N3O6525.6467 / 41.7No
5479152D structureCHEMBL3899312C29H39N3O6525.6467 / 41.7No
5573412D structureSCHEMBL10316476C44H58N8O5778.9997 / 64.0No
5479172D structureCHEMBL3893631C44H58N8O5778.9997 / 64.0No
13792D structureCHEMBL235154C22H21N3O2359.4294 / 13.0Yes
5359512D structureSCHEMBL18993317C23H29N5O391.5196 / 14.7Yes
5173262D structureCHEMBL297440C18H17N3O291.3544 / 11.7Yes
15332D structureSB-0304C25H29N5O5479.5376 / 4-0.2Yes
5214792D structureCHEMBL3814950C26H36N4O2436.65 / 33.5Yes
15662D structureCHEMBL199111C24H31N3O5S473.5887 / 21.9Yes
5479202D structureCHEMBL3925949C38H55N9O6733.9159 / 7-0.5No
5573482D structureSCHEMBL11932315C38H55N9O6733.9159 / 7-0.5No
20822D structureCHEMBL344342C19H24Cl2N2O367.3142 / 04.2Yes
4417582D structureCHEMBL3359280C29H31FO8526.5579 / 04.3No
21492D structureCHEMBL188841C14H21NO219.3282 / 13.2Yes
5215152D structureCHEMBL3759981C43H51N7O7777.9238 / 83.4No
22632D structure1-(cyclohexylmethyl)pyrrolidineC11H21N167.2961 / 03.1Yes
5359812D structureSCHEMBL16944797C23H29N5O391.5196 / 04.7Yes
5479232D structureCHEMBL3977305C27H31NO4433.5485 / 23.8Yes
5573702D structureSCHEMBL878409C27H31NO4433.5485 / 23.8Yes
5479282D structureCHEMBL3945795C15H25NO235.3712 / 02.6Yes
29682D structureCHEMBL415223C37H44N2O2548.7713 / 28.1No
4418412D structureCHEMBL3361419C24H34N6O3454.5756 / 41.7Yes
31812D structureCHEMBL377340C18H19N3O293.373 / 14.1Yes
5359912D structureSCHEMBL1532866C18H23N3O2313.4014 / 22.6Yes
32372D structureCHEMBL124642C23H31N3O365.5213 / 03.5Yes
34372D structureCHEMBL2113273C24H41N3O387.6122 / 05.2No
5479392D structureCHEMBL95302C19H23N5O4385.4248 / 42.3Yes
35242D structureCHEMBL38576C21H24Cl2N2O391.3362 / 04.6Yes
35332D structureCHEMBL320882C21H24Cl2N2O391.3362 / 04.6Yes
4633192D structureMLS004801940C17H24BrN3O3398.3016 / 12.4Yes
38012D structureCHEMBL127463C25H24FN3O401.4854 / 14.7Yes
38312D structureCHEMBL2260849C22H31NO325.4962 / 14.4Yes
38662D structureCHEMBL228740C22H23NOS349.4923 / 14.3Yes
39402D structureCHEMBL364398C23H37N3O3S435.6276 / 13.3Yes
5215572D structureCHEMBL3809808C26H29NO2387.5233 / 14.8Yes
5215632D structureCHEMBL3815013C25H34N4O2422.5735 / 33.0Yes
44852D structureCHEMBL338391C25H24N4O3428.4925 / 14.4Yes
5360482D structureSCHEMBL16945023C22H26FN5O395.4827 / 14.4Yes
46652D structure120-78-5C14H8N2S4332.4726 / 05.6No
48242D structureCHEMBL2338752C32H39NO4501.6675 / 25.2No
49222D structureCHEMBL332697C23H24N4O6452.4676 / 12.7Yes
49372D structureCHEMBL319589C28H29NO4443.5435 / 15.1No
51742D structureMLS000714572C22H30N2O6418.496 / 22.5Yes
52022D structureDynorphin BC74H115N21O171570.8621 / 22-3.6No
5360682D structureCHEMBL3927136C30H42N2O5510.6757 / 24.4No
4635262D structureCHEMBL3597077C84H139N21O241827.1628 / 25-4.1No
55802D structureCHEMBL365483C22H27NO321.4642 / 15.3No
56702D structureAC1L1HUKC29H28ClN3O4518.014 / 25.2No
58222D structureH-Aba-Gly-Gly-Phe-Leu-OHC29H37N7O6S611.71810 / 7-0.2No
58722D structureCHEMBL347750C21H28N2O2340.4673 / 33.5Yes
5574472D structureSCHEMBL14466685C27H30N4O4474.5616 / 42.3Yes
60192D structureCHEMBL230253C23H31NO337.5072 / 15.3No
60552D structureCHEMBL195285C22H28N2O4384.4765 / 20.9Yes
60622D structureCHEMBL273208C20H20N2O2320.3924 / 13.7Yes
61742D structureCHEMBL3262366C34H43NO4529.7215 / 25.8No
61812D structureCHEMBL61426C24H23F3N2O2428.4556 / 05.3No
64022D structurehesperetinC16H14O6302.2826 / 32.4Yes
4419362D structureCHEMBL3394008C18H22N6O3S402.4736 / 20.7Yes
66652D structureCHEMBL265195C28H29NO10539.53710 / 04.0No
67862D structurespiropiperidine analogue, 11C28H31N3O425.5763 / 05.4No
4636822D structureCHEMBL3597076C83H134N20O261828.129 / 25-6.6No
68132D structureCHEMBL41098C38H42N4O8S2746.89412 / 42.1No
68172D structureKUC104543NC26H30N6O2458.5665 / 12.7Yes
5216462D structureCHEMBL3770677C27H31N3O2429.5644 / 44.6Yes
69202D structureCHEMBL382597C36H45N3O3567.7745 / 36.0No
69362D structureMCL-145C46H58N2O4702.986 / 010.6No
69372D structureCHEMBL146756C46H58N2O4702.986 / 010.6No
4637052D structureCHEMBL3633757C26H24BrNO4494.3855 / 05.4No
69922D structureCHEMBL70226C20H20Cl2N2O3407.2914 / 02.8Yes
70082D structureCHEMBL3262546C25H30N2O374.5282 / 04.8Yes
70112D structureCHEMBL2322511C34H40N4O3552.7195 / 25.9No
5574822D structureSCHEMBL16944666C18H27N3O3333.4326 / 22.1Yes
4637572D structureCHEMBL3183897C18H27N3O3333.4326 / 22.1Yes
5216552D structureCHEMBL3808879C27H31NO3417.5494 / 14.8Yes
5574862D structureSCHEMBL15486274C32H47NO7557.7288 / 03.4No
5479712D structureCHEMBL3959095C32H47NO7557.7288 / 03.4No
71092D structureNSC612113C38H42N4O6650.77610 / 44.0No
71122D structureNaloxonazineC38H42N4O6650.77610 / 44.0No
71322D structureCHEMBL574175C29H29ClN2O3489.0125 / 24.7Yes
5574892D structureSCHEMBL16944858C20H29N5O3387.4848 / 12.0Yes
5574962D structureSCHEMBL16945084C18H26BrN3O3412.3286 / 22.8Yes
73302D structureCHEMBL3264446C18H26BrN3O3412.3286 / 22.8Yes
4637852D structureMLS004801944C18H26BrN3O3412.3286 / 22.8Yes
74862D structureCHEMBL309783C24H32N4O3424.5454 / 42.3Yes
5361632D structureCHEMBL3956104C30H38N4O4518.6585 / 43.4No
75802D structureCHEMBL516085C30H28N2O5496.5637 / 14.7Yes
76272D structureCHEMBL413258C31H31N3O6541.6047 / 14.0No

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