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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

NameNeuropeptide S receptor
SpeciesHomo sapiens (Human)
GeneNPSR1
SynonymNPS receptor
PGR14
GPR154
G-protein coupled receptor PGR14
G-protein coupled receptor for asthma susceptibility
[ Show all ]
DiseaseNeurological disease
Length371
Amino acid sequenceMPANFTEGSFDSSGTGQTLDSSPVACTETVTFTEVVEGKEWGSFYYSFKTEQLITLWVLFVFTIVGNSVVLFSTWRRKKKSRMTFFVTQLAITDSFTGLVNILTDINWRFTGDFTAPDLVCRVVRYLQVVLLYASTYVLVSLSIDRYHAIVYPMKFLQGEKQARVLIVIAWSLSFLFSIPTLIIFGKRTLSNGEVQCWALWPDDSYWTPYMTIVAFLVYFIPLTIISIMYGIVIRTIWIKSKTYETVISNCSDGKLCSSYNRGLISKAKIKAIKYSIIIILAFICCWSPYFLFDILDNFNLLPDTQERFYASVIIQNLPALNSAINPLIYCVFSSSISFPCREQRSQDSRMTFRERTERHEMQILSKPEFI
UniProtQ6W5P4
Protein Data BankN/A
GPCR-HGmod modelQ6W5P4
3D structure modelThis predicted structure model is from GPCR-EXP Q6W5P4.
BioLiPN/A
Therapeutic Target DatabaseT20958
ChEMBLCHEMBL5162
IUPHAR302
DrugBankBE0000948

Known ligands

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Total entries: 14490
Page:  / 145 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
112D structureDAPHC20H15N3O2329.3594 / 33.8Yes
192D structureBAS 00216743C19H14N2OS318.3943 / 04.5Yes
362D structureMLS000077136C12H11N3O6293.2358 / 1-0.1Yes
1142D structureSMR000155400C22H16ClN3O3S2469.9587 / 05.1No
2092D structureMLS000392662C10H14ClN3S2275.8133 / 23.6Yes
2162D structureMLS000093986C23H26N4O5438.4846 / 13.0Yes
2802D structure3-(4-chlorophenyl)-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazoleC11H7ClF4N2278.6355 / 13.8Yes
2992D structureBAS 00662566C8H12N4O3S244.2695 / 30.2Yes
3162D structureSMR000155256C19H17ClN4O2S400.8817 / 26.6No
3512D structure1-Benzyl-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmethyl)-1H-benzoimidazoleC22H18N6S398.4885 / 04.7Yes
3772D structureethyl 2-(methylsulfanyl)-4-{3-[(phenylsulfonyl)amino]phenoxy}-5-pyrimidinecarboxylateC20H19N3O5S2445.5089 / 13.7Yes
3802D structureMLS000526436C18H31N3S321.5272 / 23.7Yes
4192D structure4-(3,4-Dihydro-1H-isoquinolin-2-yl)-8-methoxy-5H-pyrimido[5,4-b]indoleC20H18N4O330.3914 / 13.7Yes
4272D structureSMR000123112C21H23FN2O5S434.4827 / 13.7Yes
4592D structureC22H31BrN2O5SC22H31BrN2O5S515.4638 / 3N/ANo
4842D structureSMR000127857C21H18N2O2330.3873 / 14.5Yes
5012D structureSMR000012485C20H22F3N5O2S453.4849 / 13.3Yes
5112D structureN-(3,5-dimethylphenyl)cyclopentanecarboxamideC14H19NO217.3121 / 13.4Yes
5573212D structureSMR000145689C23H15N3O5413.3896 / 24.6Yes
5392D structureMLS000761483C20H19ClN2O338.8353 / 14.5Yes
5792D structureAC1MGH8DC20H24BrNO5438.3186 / 2N/AN/A
6462D structureBAS 03609370C21H20F3N3O3S451.4649 / 13.9Yes
6872D structureSMR000091760C20H15N5O3S405.4327 / 02.8Yes
7472D structureu-74389gC41H54N6O6726.91912 / 2N/ANo
7512D structureMLS000325386C17H13BrClN5O4466.6766 / 14.1Yes
7902D structureMLS000830224C15H8BrF6NO412.1297 / 15.2No
8392D structureSMR000178156C18H11N3O4333.3035 / 03.2Yes
8512D structureMLS000572570C15H15ClN4O302.7623 / 22.6Yes
8802D structureMLS000068755C22H18ClN5O403.874 / 14.7Yes
9232D structureMLS000559294C21H14N2O2S2390.4755 / 05.4No
9632D structureDEXTRO-CAMPHORIC P-PHENETIDIDEC18H25NO4319.4014 / 23.0Yes
9652D structure2-(3,4-Dimethoxyphenyl)-1H-indene-1,3(2H)-dioneC17H14O4282.2954 / 02.9Yes
9952D structureTCMDC-125610C19H15BrN2O2S415.3054 / 05.2No
10032D structureMLS000834357C28H32F3NO4503.5627 / 15.5No
11152D structureMLS000092917C22H29N5O3S443.5665 / 32.1Yes
11572D structure2-[cyclohexyl(methyl)amino]-5-nitro-N-phenylbenzamideC20H23N3O3353.4224 / 14.5Yes
11652D structureGR 89696 fumarateC23H29Cl2N3O7530.3998 / 2N/ANo
11972D structureSMR000002891C22H25FN4O2S428.5267 / 14.2Yes
13022D structureMLS000109191C21H15N5O2S401.4446 / 03.4Yes
13042D structure4-chlorobenzaldehyde N-phenylsemicarbazoneC14H12ClN3O273.722 / 23.2Yes
13232D structureSMR000095165C21H22ClN3O3399.8755 / 04.6Yes
13362D structureSMR000030980C18H24N4O2S360.4765 / 11.5Yes
13892D structureAC1MGWUVC22H21NOS347.4762 / 14.6Yes
13922D structureAC1MGB6YC17H19N3O4329.3565 / 13.1Yes
14022D structureN-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(4-methoxybenzyl)-N'-methylthioureaC20H20ClN3O3S417.9084 / 12.9Yes
14292D structureAC1LLNFYC21H16N2O2S2392.4915 / 05.2No
14312D structureSMR000035518C20H18BrN5O3456.35 / 02.5Yes
14842D structureMLS-0106925.0002C21H26Cl2FNO2414.3425 / 2N/AN/A
14992D structure5-(4-bromophenyl)-N-phenyl-2-furamideC17H12BrNO2342.1922 / 14.5Yes
15792D structure(1-Ethyl-1H-benzoimidazol-2-yl)-phenyl-methanolC16H16N2O252.3172 / 12.6Yes
16152D structureSMR000044012C23H31N5O2409.5347 / 03.7Yes
16192D structureMLS000037786C19H14N2O3S350.3926 / 03.7Yes
16272D structureSMR000078129C15H15F3N2O2S344.3528 / 03.2Yes
16472D structureSMR000044353C20H24N6OS396.5138 / 12.6Yes
16532D structureNSC309874C26H23ClN2OS446.9933 / 16.6No
5573462D structure5-bromo-1H-indole-2,3-dione 3-[N-(4-hydroxyphenyl)thiosemicarbazone]C15H11BrN4O2S391.2434 / 44.3Yes
16702D structureMLS000672046C24H24ClN3389.9272 / 2N/AN/A
17192D structurepaxillineC27H33NO4435.5644 / 33.5Yes
17502D structureN-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamideC21H16N2O5376.3686 / 13.8Yes
17622D structureMLS000418503C21H13N3OS355.4155 / 04.8Yes
18462D structure4-{[4-(diphenylmethyl)piperazin-1-yl]carbonyl}-2-methylphthalazin-1(2H)-oneC27H26N4O2438.5314 / 03.8Yes
18742D structureMLS000574219C18H13ClN2O3340.7633 / 12.9Yes
18812D structureMLS000087448C23H28N2O3380.4884 / 04.6Yes
18922D structureMLS000537663C24H21NO2355.4372 / 14.1Yes
19462D structureethyl 3-(4-(N,N-bis(2-methoxyethyl)sulfamoyl)benzamido)-5-phenylthiophene-2-carboxylateC26H30N2O7S2546.6539 / 14.1No
19572D structureMLS000333603C18H15N3O2S337.3975 / 13.6Yes
20072D structureAC1NE6QEC15H11Cl3N2O341.6162 / 13.7Yes
20202D structureMLS001006960C15H13N3O3S2347.4077 / 13.2Yes
20672D structureSMR000046468C25H26N4O4S478.5677 / 14.1Yes
20782D structureN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamideC20H17N5OS2407.516 / 14.8Yes
20812D structure2-[(2,4-dichlorobenzyl)sulfanyl]-N-methyl-6-[(methylsulfanyl)methyl]-4-pyrimidinamineC14H15Cl2N3S2360.3155 / 14.6Yes
21072D structureSCHEMBL2590676C28H22FN2OPS484.5293 / 17.2No
21262D structureMLS000587548C24H22Cl2N2O2441.3524 / 2N/AN/A
21562D structure4-hydroxy-2-oxo-N'-[(E)-phenylmethylidene]-1,2-dihydroquinoline-3-carbohydrazideC17H13N3O3307.3094 / 32.9Yes
22102D structureSR-01000697372C21H17N3O2S375.4465 / 34.4Yes
22262D structureMLS000556811C25H34N2O3410.5583 / 15.8No
22942D structureSMR000201550C24H26N2O3S2454.6035 / 25.0Yes
23032D structureSMR000042447C21H26ClN3355.913 / 1N/AN/A
23162D structureMLS000071942C27H31N7O469.5936 / 13.7Yes
24002D structureMLS000537437C25H19BrF3N3O2S562.4058 / 15.9No
29282D structureSMR000124404C20H24N4O6S2480.55410 / 01.9Yes
29402D structureSMR000172878C30H31N3O3S513.6564 / 25.3No
29762D structureSMR000151229C26H32N4O2432.5682 / 24.0Yes
30362D structureSMR000104366C18H22N2O5S378.4436 / 12.3Yes
30702D structureSMR000193353C21H18N2O2S362.4474 / 04.3Yes
30752D structureAC1LXTEDC19H11NO4S2381.426 / 13.8Yes
30772D structureMLS001006036C19H16N2O3S352.4084 / 13.1Yes
31942D structureAC1NKK02C25H28ClN5O2S498.0426 / 14.2Yes
31962D structureAC1NY53VC18H15N3O3321.3363 / 13.3Yes
32032D structureAC1OC89KC12H9Cl2N3OS314.1843 / 23.5Yes
32292D structureDihydroergotamine mesylateC34H41N5O8S679.7899 / 4N/ANo
32422D structure(5-Phenylethynyl-furan-2-yl)-(4-pyridin-2-yl-piperazin-1-yl)-methanoneC22H19N3O2357.4134 / 03.7Yes
32482D structureMLS000766439C31H34N2O4498.6235 / 14.2Yes
32562D structureSMR000201450C23H23N3O3S2453.5756 / 24.5Yes
32592D structureSMR000127622C22H26N2O334.4632 / 14.9Yes
32792D structureethyl 1-(3-benzoylquinolin-4-yl)piperidine-3-carboxylateC24H24N2O3388.4675 / 04.4Yes
32802D structureSMR000196863C13H9ClN2O3S2340.7967 / 03.9Yes
32952D structureisopropyl 2-[4-(3-chlorophenyl)piperazino]nicotinateC19H22ClN3O2359.8545 / 04.2Yes
33392D structureMLS000544661C18H12Br2N4444.133 / 04.6Yes
33862D structure2-chloro-3-[(2-piperidinoethyl)amino]naphthoquinoneC17H19ClN2O2318.8014 / 13.4Yes

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