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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-P receptor
SpeciesHomo sapiens (Human)
GeneTACR1
SynonymNK-1R
TAC1R
Substance P receptor
Tachykinin receptor 1
NK-1 receptor
[ Show all ]
DiseaseNausea; Vomiting
Overactive bladder disorder
Pain
Respiratory tract inflammation
Schizophrenia
[ Show all ]
Length407
Amino acid sequenceMDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTISTVVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
UniProtP25103
Protein Data Bank6e59, 6hlo, 2ks9, 6hll, 2ksb, 2ksa, 6hlp
GPCR-HGmod modelP25103
3D structure modelThis structure is from PDB ID 6e59.
BioLiPBL0434896, BL0437913, BL0101801, BL0101803, BL0101802, BL0437915, BL0437914
Therapeutic Target DatabaseT47094
ChEMBLCHEMBL249
IUPHAR360
DrugBankBE0000384

Known ligands

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Total entries: 3087
Page:  / 31 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
3122D structureCHEMBL358600C27H32Cl2FN3O2520.475 / 04.3No
3472D structureCHEMBL1097693C23H21F7N2O2490.42210 / 14.3Yes
3962D structureCHEMBL3288163C34H39Cl3FN5O4707.0657 / 4N/ANo
7772D structureCHEMBL408242C36H37Cl2N3O2S646.6715 / 07.5No
10382D structureCHEMBL21607C28H27Cl2N3O2508.4433 / 16.1No
11042D structureCHEMBL143156C27H30F6N2O2528.5399 / 05.6No
11792D structureCHEMBL134737C28H28ClN3O3490.03 / 35.6No
12742D structureCHEMBL418757C51H52FN7O7894.0178 / 76.6No
15122D structureCHEMBL556537C70H89F6N11O151438.5322 / 145.8No
15802D structureCHEMBL417766C28H33NO399.5782 / 16.1No
16232D structureCHEMBL21939C35H35N3O2529.6843 / 17.0No
17202D structureCHEMBL2373196C34H36Cl2N2O2S607.6344 / 07.4No
18362D structureCHEMBL2304114C97H126N18O19S1880.2421 / 157.8No
18762D structureCHEMBL327928C21H25NO2323.4363 / 13.4Yes
18892D structureCHEMBL76455C32H33N3O4523.6334 / 36.3No
23422D structureCHEMBL59310C26H29NO2387.5232 / 15.1No
24882D structureSubstance PC63H98N18O13S1347.6517 / 15-2.3No
27982D structuresub-stance pC63H98N18O13S1347.6517 / 15-2.3No
4632282D structureCHEMBL3609619C32H30F6N4O5664.60512 / 54.5No
31212D structureCHEMBL400148C26H24F7NO2515.47210 / 06.2No
31752D structureCHEMBL557188C60H72F6N10O91191.2916 / 107.4No
31872D structureCHEMBL42653C31H32ClN3O4546.0644 / 24.5No
32002D structureCHEMBL26790C33H36Cl2N4O2591.5773 / 16.1No
34292D structureCHEMBL288371C28H28N2O2S456.6044 / 14.7Yes
34472D structureCHEMBL337789C25H29F6N3O3533.51511 / 13.5No
34482D structureCHEMBL1084165C29H30ClF6N3O3618.01711 / 26.2No
35152D structureCHEMBL166827C32H40Cl4N4O6S750.5548 / 13.7No
38492D structureCEP-11981C28H27N7O477.5725 / 23.9Yes
39732D structureCHEMBL341681C28H27F2N3O3491.5395 / 35.2No
46722D structureCHEMBL1765500C28H28F6N4O550.54910 / 05.9No
4634572D structureCHEMBL3596492C28H27F3N2O464.5326 / 06.1No
48382D structureCHEMBL2112211C30H27F6N3O3591.5549 / 26.2No
52162D structureCHEMBL296014C32H47N3O5553.7445 / 45.6No
53972D structureCHEMBL42800C23H23F6N3O2487.4469 / 24.1Yes
54052D structureCHEMBL137972C29H41N3O2463.6664 / 14.8Yes
57052D structureCHEMBL357303C19H20Cl2N4O2407.2954 / 23.4Yes
57552D structureparoxetineC19H20FNO3329.3715 / 13.5Yes
60222D structureCHEMBL336251C25H30F6N2O488.5189 / 06.0No
60262D structureCHEMBL313070C24H26F6N2O472.4758 / 15.4No
60452D structureCHEMBL75367C32H38Cl2F6N4O4727.5713 / 16.0No
60472D structureCHEMBL75436C32H38Cl2F6N4O4727.5713 / 16.0No
61792D structureCHEMBL317297C30H34N2O2454.6144 / 15.6No
61952D structureCHEMBL420876C29H32N2408.5892 / 16.0No
61962D structureCHEMBL316842C29H32N2408.5892 / 16.0No
64522D structureCHEMBL445357C30H33Cl2N3O3S2618.6326 / 15.4No
66492D structureCHEMBL54540C30H31Cl4N3O4S671.4556 / 15.9No
72662D structureCHEMBL2112245C74H92FN15O17S21546.7622 / 19-0.3No
75472D structureCHEMBL139256C28H36F3N3O2503.617 / 15.2No
79532D structureCHEMBL106300C34H39Cl2N5O3636.6185 / 24.6No
79542D structureCHEMBL107306C34H39Cl2N5O3636.6185 / 24.6No
79572D structureCHEMBL423597C19H24N2O296.4143 / 22.7Yes
80352D structureCHEMBL2370513C42H54N8O9814.9419 / 82.9No
82212D structureCHEMBL1951633C24H24F7N3O2519.4649 / 14.2No
83042D structureCHEMBL209531C22H23F6NO431.4228 / 15.5No
84272D structureCHEMBL3144347C42H46N6O7746.8657 / 34.2No
84322D structureCHEMBL45085C42H46N6O7746.8657 / 34.2No
89822D structureCHEMBL20826C29H30ClN3O2488.0283 / 14.6Yes
90582D structureCHEMBL207698C23H23F6NO443.4338 / 15.8No
90592D structureCHEMBL382988C23H23F6NO443.4338 / 15.8No
91422D structureCHEMBL208900C27H25N3O2423.5163 / 13.9Yes
92262D structureCHEMBL317209C25H23F6N3O3S559.52711 / 03.5No
93012D structureCHEMBL20736C35H34ClN3O2564.1263 / 16.2No
93592D structureCHEMBL120589C22H25NO319.4482 / 14.6Yes
93602D structureCHEMBL68670C22H25NO319.4482 / 14.6Yes
94292D structureCHEMBL301618C33H33F7N2O606.6299 / 18.4No
94512D structureCHEMBL319474C33H38Cl2N4O4625.5916 / 15.1No
97762D structureCHEMBL380510C30H32F6N4O578.60310 / 07.1No
98202D structureCHEMBL1270464C26H26F6N4O524.51111 / 25.5No
98692D structureAC-42C20H31NO301.4742 / 05.2No
99562D structureCHEMBL387670C61H73F6N9O101206.317 / 88.1No
100402D structureCHEMBL144793C25H32N4O404.5584 / 23.7Yes
5575712D structureSCHEMBL17254991C34H35F7N2O4668.65312 / 27.2No
102002D structureCHEMBL1090438C29H28F7NO3571.53610 / 05.5No
102462D structureCHEMBL168144C34H40Cl4N6O3722.5336 / 06.4No
106032D structureCHEMBL56372C23H24BrNO410.3552 / 15.2No
5217462D structureCHEMBL3735396C41H57N7O11S856.00512 / 81.5No
5217492D structureCHEMBL3735210C41H57N7O11S856.00512 / 81.5No
110502D structureCHEMBL2333642C19H19ClF4N2O402.8187 / 14.3Yes
110742D structureCHEMBL287369C33H40Cl4N8O3738.5368 / 06.4No
111412D structureCHEMBL139057C29H39N3O4493.6486 / 04.1Yes
123432D structureCHEMBL203113C33H33F6N5O3661.64910 / 35.4No
124452D structureCHEMBL41068C35H42Cl2F6N4O5783.63414 / 07.0No
125392D structureCHEMBL105847C36H37ClN4O2S625.2283 / 26.8No
5218282D structureCHEMBL3736313C40H56N8O11S856.99313 / 9-2.0No
126532D structureCHEMBL1917867C26H30F3N7O3545.56710 / 12.5No
129632D structureCHEMBL1817830C26H26ClF2NO2457.9465 / 1N/AN/A
134772D structureCHEMBL151356C33H42Cl2N4O2597.6254 / 15.0No
135332D structureCHEMBL424301C20H24N6O364.4536 / 22.8Yes
137122D structureCHEMBL342341C32H38Cl2F6N4O3711.57112 / 16.9No
137712D structureAprepitantC23H21F7N4O3534.43512 / 24.2No
137732D structureent-AprepitantC23H21F7N4O3534.43512 / 24.2No
140242D structureCHEMBL1766208C61H74F6N10O9S1237.3717 / 107.3No
140892D structureCHEMBL611925C57H64F6N10O9S21211.3118 / 106.0No
140932D structureCHEMBL611924C57H64F6N10O9S21211.3118 / 106.0No
141072D structureCHEMBL2114398C27H26ClF6N3O3589.9639 / 25.6No
141102D structureCHEMBL2112070C27H26ClF6N3O3589.9639 / 25.6No
141112D structureCHEMBL35857C27H26ClF6N3O3589.9639 / 25.6No
141132D structureCHEMBL104954C27H26ClF6N3O3589.9639 / 25.6No
141152D structureCHEMBL2115343C27H26ClF6N3O3589.9639 / 25.6No
141372D structureCHEMBL1090285C31H23F7N2O2588.52610 / 06.5No

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