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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

NameSubstance-K receptor
SpeciesHomo sapiens (Human)
GeneTACR2
SynonymSP-E receptor
NKNAR
TAC2R
NK-2R
Neurokinin B receptor
[ Show all ]
DiseaseUrinary incontinence
Unspecified
Pain
Irritable bowel syndrome with diarrhoea
Irritable bowel syndrome
[ Show all ]
Length398
Amino acid sequenceMGTCDIVTEANISSGPESNTTGITAFSMPSWQLALWATAYLALVLVAVTGNAIVIWIILAHRRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAVIAGIWLVALALASPQCFYSTVTMDQGATKCVVAWPEDSGGKTLLLYHLVVIALIYFLPLAVMFVAYSVIGLTLWRRAVPGHQAHGANLRHLQAMKKFVKTMVLVVLTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTKEDKLELTPTTSLSTRVNRCHTKETLFMAGDTAPSEATSGEAGRPQDGSGLWFGYGLLAPTKTHVEI
UniProtP21452
Protein Data BankN/A
GPCR-HGmod modelP21452
3D structure modelThis predicted structure model is from GPCR-EXP P21452.
BioLiPN/A
Therapeutic Target DatabaseT52790
ChEMBLCHEMBL2327
IUPHAR361
DrugBankBE0002222

Known ligands

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Total entries: 1298
Page:  / 13 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
7602D structureCHEMBL57589C27H34Cl2N2O3505.484 / 05.8No
8902D structureCHEMBL439281C39H47N7O6S741.9088 / 62.9No
15572D structurehexachloropheneC13H6Cl6O2406.8892 / 27.5No
20642D structureCHEMBL413205C73H79N11O13S1350.5616 / 117.6No
22522D structureCHEMBL236661C31H40N4O3S548.7465 / 45.3No
23242D structureCHEMBL244766C32H42N4O5S594.7717 / 63.6No
24952D structureSubstance PC63H98N18O13S1347.6517 / 15-2.3No
28002D structuresub-stance pC63H98N18O13S1347.6517 / 15-2.3No
31992D structureCHEMBL26790C33H36Cl2N4O2591.5773 / 16.1No
35162D structureCHEMBL166827C32H40Cl4N4O6S750.5548 / 13.7No
36942D structureCHEMBL242626C36H40N6O4S652.8147 / 34.6No
38462D structureCEP-11981C28H27N7O477.5725 / 23.9Yes
43252D structuresulconazoleC18H15Cl3N2S397.7422 / 06.1No
48372D structureCHEMBL2112211C30H27F6N3O3591.5549 / 26.2No
54062D structureCHEMBL446604C37H50N4O4614.8315 / 35.1No
60462D structureCHEMBL75367C32H38Cl2F6N4O4727.5713 / 16.0No
60482D structureCHEMBL75436C32H38Cl2F6N4O4727.5713 / 16.0No
61652D structureCHEMBL499689C37H52N4O5632.8466 / 35.2No
66552D structureCID 10077178C33H36O8S592.7039 / 04.2No
72652D structureCHEMBL2112245C74H92FN15O17S21546.7622 / 19-0.3No
74322D structureCHEMBL441115C32H40N4O4544.6965 / 34.9No
74332D structureCHEMBL362201C32H40N4O4544.6965 / 34.9No
78662D structureCHEMBL98977C18H21ClN6O372.8576 / 23.8Yes
79522D structureCHEMBL106300C34H39Cl2N5O3636.6185 / 24.6No
79552D structureCHEMBL107306C34H39Cl2N5O3636.6185 / 24.6No
80342D structureCHEMBL2370513C42H54N8O9814.9419 / 82.9No
86522D structureCHEMBL359885C25H34N4O3438.5724 / 22.4Yes
86532D structureCHEMBL181998C25H34N4O3438.5724 / 22.4Yes
91412D structureCHEMBL208900C27H25N3O2423.5163 / 13.9Yes
94522D structureCHEMBL319474C33H38Cl2N4O4625.5916 / 15.1No
98732D structureAC-42C20H31NO301.4742 / 05.2No
99982D structureCHEMBL180238C30H36N4O4516.6425 / 24.0No
99992D structureCHEMBL180001C30H36N4O4516.6425 / 24.0No
102472D structureCHEMBL168144C34H40Cl4N6O3722.5336 / 06.4No
5217452D structureCHEMBL3735396C41H57N7O11S856.00512 / 81.5No
5217472D structureCHEMBL3735210C41H57N7O11S856.00512 / 81.5No
109512D structureCHEMBL395972C37H45F3N4O4S698.8469 / 36.6No
110732D structureCHEMBL287369C33H40Cl4N8O3738.5368 / 06.4No
124462D structureCHEMBL41068C35H42Cl2F6N4O5783.63414 / 07.0No
5218292D structureCHEMBL3736313C40H56N8O11S856.99313 / 9-2.0No
128072D structureCHEMBL242846C27H32N4O4S508.6376 / 33.3No
130572D structureCHEMBL387699C38H44N6O4648.8085 / 54.3No
133642D structureCHEMBL394607C36H45N5O5S659.8467 / 33.9No
137132D structureCHEMBL342341C32H38Cl2F6N4O3711.57112 / 16.9No
141082D structureCHEMBL2114398C27H26ClF6N3O3589.9639 / 25.6No
141092D structureCHEMBL2112070C27H26ClF6N3O3589.9639 / 25.6No
141122D structureCHEMBL35857C27H26ClF6N3O3589.9639 / 25.6No
141142D structureCHEMBL104954C27H26ClF6N3O3589.9639 / 25.6No
141162D structureCHEMBL2115343C27H26ClF6N3O3589.9639 / 25.6No
148812D structureCHEMBL145302C34H43Cl2F6N3O3726.62612 / 18.3No
152312D structureWAY-207024C30H32N6476.6285 / 15.5No
152412D structureCHEMBL394420C35H38N4O3S594.7745 / 36.0No
153332D structureCHEMBL179886C29H41N3O4495.6645 / 24.3Yes
153342D structureCHEMBL179891C29H41N3O4495.6645 / 24.3Yes
5219332D structureAM-0902C17H15ClN6O2370.7976 / 02.3Yes
5480622D structureCHEMBL3984151C17H17FN6O2356.3617 / 01.4Yes
5577292D structureSCHEMBL16143091C17H17FN6O2356.3617 / 01.4Yes
5363932D structureCHEMBL3942295C17H17FN6O2356.3617 / 01.4Yes
161722D structureCHEMBL2347498C53H75N13O14S21182.3818 / 13-2.7No
165382D structureCHEMBL75478C38H44Cl4N6O5806.6077 / 17.1No
166652D structureCHEMBL47775C32H42N4O498.7154 / 16.4No
169022D structureCHEMBL78851C35H37Cl4N5O5749.5117 / 07.4No
169482D structureCHEMBL327531C16H17ClN6O344.8036 / 23.1Yes
172312D structureSCHEMBL1973042C27H31Cl3N4O3565.923 / 14.4No
175652D structureELEDOISINC54H85N13O15S1188.4117 / 14-3.6No
178632D structureCHEMBL282728C26H24N2O4428.4884 / 24.5Yes
180022D structureCHEMBL161288C43H51N7O10825.9210 / 100.5No
180042D structureCHEMBL350596C43H51N7O10825.9210 / 100.5No
180592D structureCHEMBL2113739C29H24F7N3O3595.51810 / 25.9No
189732D structureCHEMBL65468C39H35F6N8O5-809.7515 / 35.2No
190222D structureGR-159897C23H27FN2O2S414.5395 / 13.4Yes
190252D structureCHEMBL166161C23H27FN2O2S414.5395 / 13.4Yes
200322D structureCHEMBL71498C17H21NO255.3612 / 12.9Yes
203202D structureCHEMBL74127C31H34Cl2N4O2565.5393 / 16.2No
207242D structureCHEMBL144011C35H41Cl2F6N3O3736.62111 / 08.8No
210212D structureCHEMBL236659C28H36N4O5S540.6797 / 42.6No
215002D structureCHEMBL348599C31H31Cl2F3N4O2619.518 / 16.9No
217262D structureCHEMBL307733C34H39Cl4N5O4723.5176 / 07.0No
219762D structureL-Serine,N-[1-oxo-3-(2-pentylphenyl)propyl]-L-threonyl-(aE)-a,b-didehydro-N-methyltyrosyl-L-leucyl-D-phenylalanyl-L-allothreonyl-L-asparaginyl-,(7®1)-lactoneC54H72N8O131041.2113 / 104.9No
5221292D structureCHEMBL3775436C15H26ClNO3303.8274 / 3N/AN/A
5221772D structureCHEMBL3775769C15H26ClNO3303.8274 / 3N/AN/A
221832D structuresuloctidilC20H35NOS337.5663 / 25.8No
224632D structureCHEMBL303548C36H36N4O4588.7084 / 24.6No
5533472D structureFK 888C36H36N4O4588.7084 / 24.6No
224672D structureL001421C36H36N4O4588.7084 / 24.6No
231192D structureCHEMBL310019C26H29Cl2F6N3O2600.42711 / 06.8No
5580022D structureSCHEMBL16115678C17H14F4N6O2410.33310 / 01.9Yes
5481552D structureCHEMBL3898651C17H14F4N6O2410.33310 / 01.9Yes
236142D structureCHEMBL115633C27H25Cl2F6N3O3624.4059 / 26.2No
236172D structureCHEMBL119126C27H25Cl2F6N3O3624.4059 / 26.2No
236192D structureCHEMBL332793C27H25Cl2F6N3O3624.4059 / 26.2No
236212D structureUNII-G9BL4978MZC27H25Cl2F6N3O3624.4059 / 26.2No
236312D structureCHEMBL318254C18H21ClN6O372.8576 / 23.9Yes
242532D structureCHEMBL310703C31H36Cl2F6N4O3697.54412 / 06.8No
242702D structureTalnetantC25H22N2O2382.4633 / 25.7No
242752D structureCHEMBL430118C25H22N2O2382.4633 / 25.7No
242772D structureSB 223412C25H22N2O2382.4633 / 25.7No
245522D structureCHEMBL33868C36H42N4O546.7594 / 17.0No
247562D structureCHEMBL439377C38H45N7O4663.8236 / 53.3No
250462D structureCHEMBL391710C28H31N3O3S489.6344 / 35.4No

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