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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

NameBeta-2 adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRB2
SynonymGpcr7
ADRBR
beta-2 adrenoreceptor
Beta-2 adrenoceptor
Adrb-2
[ Show all ]
DiseaseOcular hypertension
Chronic breathing disorders
Cachexia
Bronchodilator
Bradycardia; Heart block
[ Show all ]
Length413
Amino acid sequenceMGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNTGEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
UniProtP07550
Protein Data Bank5d6l, 3ny8, 3pds, 6mxt, 4gbr, 3d4s, 4qkx, 4ldl, 5jqh, 3nya, 6csy, 2rh1, 3ny9, 5d5a, 5d5b, 5x7d, 4ldo, 4lde
GPCR-HGmod modelP07550
3D structure modelThis structure is from PDB ID 5d6l.
BioLiPBL0333729, BL0354449, BL0185743,BL0185744, BL0185745, BL0113950, BL0113952,BL0113953,BL0113954, BL0113951, BL0430930, BL0333736,BL0333737,BL0333738, BL0430929, BL0257080, BL0257081, BL0185746,BL0185747, BL0185748, BL0354451,BL0354452,BL0354453, BL0354450, BL0333734, BL0333731,BL0333732,BL0333733, BL0333735, BL0388810, BL0388809, BL0388807,BL0388808, BL0257084, BL0433199, BL0433200, BL0192129, BL0192128, BL0333730, BL0185740,BL0185741, BL0351701,BL0351703, BL0351702,BL0351704, BL0257085, BL0185742, BL0232997, BL0147310, BL0147311,BL0147312, BL0283869, BL0257082, BL0257083
Therapeutic Target DatabaseT52522, T24555
ChEMBLCHEMBL210
IUPHAR29
DrugBankBE0000694

Known ligands

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Total entries: 3861
Page:  / 39 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
2082D structureMLS000392662C10H14ClN3S2275.8133 / 23.6Yes
5573132D structureMLS000849868C15H17N3OS287.3813 / 32.5Yes
3082D structureMLS-0240968.0001C21H30N8O2426.5257 / 32.0Yes
3832D structureMLS000526436C18H31N3S321.5272 / 23.7Yes
5339132D structureSCHEMBL739957C48H50N6O7822.9639 / 65.2No
5692D structureMLS001250385C18H22N2O5346.3835 / 03.7Yes
4416902D structureCHEMBL3426702C40H43N5O6689.8138 / 54.1No
9732D structureCHEMBL3298692C32H38N4O6574.6788 / 63.9No
10132D structureCHEMBL2205816C18H20N2O280.3713 / 11.8Yes
10702D structureCHEMBL516056C28H44N2O8S568.72610 / 6N/ANo
11842D structureCHEMBL1243256C28H35N3O6S541.6638 / 52.3No
12442D structureCHEMBL556022C20H30Cl2N4O3S477.4457 / 5N/AN/A
13412D structureCHEMBL2261203C29H36N4O5S2584.758 / 43.9No
14002D structure2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamideC15H14N4O4S346.3618 / 12.3Yes
14072D structureCHEMBL3265169C28H39FN4O4S546.7028 / 33.3No
14402D structureAC1OWPG0C18H15N3O6S401.3939 / 12.4Yes
15492D structureMLS000591296C22H20ClN3O3S441.936 / 14.1Yes
16752D structureN-[(diallylamino)carbonothioyl]-4-methoxybenzamideC15H18N2O2S290.3813 / 12.8Yes
18862D structureSMR000471067C31H29N3O4507.594 / 04.1No
4592482D structureBDBM50097799C29H32N4O6S2596.71710 / 63.3No
21822D structureCHEMBL458002C29H28ClN5O2514.0265 / 24.3No
22862D structure1-(cyclohexylmethyl)pyrrolidineC11H21N167.2961 / 03.1Yes
23442D structure24090-38-8C11H10O3S222.2584 / 12.2Yes
29242D structureCHEMBL418308C35H32N4O3S2620.7868 / 36.0No
30792D structureMLS001006036C19H16N2O3S352.4084 / 13.1Yes
31022D structurePrenalterolC12H19NO3225.2884 / 31.4Yes
32222D structureAC1M63SYC13H10ClNO2S279.7383 / 02.7Yes
32782D structureCHEMBL475389C25H38N2O6S494.6478 / 52.5Yes
35072D structureCHEMBL2348219C25H35N3O6473.577 / 52.3Yes
37382D structureprocaterol hydrochlorideC16H23ClN2O3326.8214 / 5N/AN/A
39492D structureAC1LGXBPC20H23NO2309.4092 / 24.4Yes
5339232D structureSCHEMBL738884C46H54N6O7802.9739 / 64.3No
44752D structureCHEMBL1773264C42H57N3O6S731.9939 / 57.2No
5215802D structureCHEMBL3797876C17H21NO5319.3576 / 41.6Yes
5215852D structureCHEMBL3799593C17H21NO5319.3576 / 41.6Yes
46002D structureCHEMBL208352C24H25ClN2O3424.9255 / 34.4Yes
47792D structureMLS000697273C20H16N2O2S348.424 / 14.0Yes
48512D structureMLS000776250C14H16N4O3S2352.4276 / 21.7Yes
51462D structureCHEMBL466923C30H30N4O3494.5955 / 44.5Yes
52722D structureCHEMBL279931C19H21ClN2O328.842 / 33.8Yes
52802D structureCHEMBL25133C19H21ClN2O328.842 / 33.8Yes
52822D structureCHEMBL26393C19H21ClN2O328.842 / 33.8Yes
53442D structureCHEMBL1359359C18H19NO6S377.4118 / 5N/AN/A
55262D structureCHEMBL3128185C30H29FN4O2S528.6467 / 34.2No
56182D structureMLS000076295C21H23ClN4O3S446.957 / 04.0Yes
63582D structure3-(4-methylphenyl)-6-phenyl-3,4-dihydro-1,3,5-triazine-2(1H)-thioneC16H15N3S281.3772 / 13.3Yes
64632D structureCHEMBL443435C29H41N3O10S623.71812 / 7N/ANo
65722D structure4-phenyl-3-buten-2-one thiosemicarbazoneC11H13N3S219.3062 / 21.8Yes
66692D structureCHEMBL1203989C24H27ClN4O4S503.0146 / 5N/ANo
68772D structureMLS000587278C23H25N3O3391.4715 / 24.3Yes
69172D structureMLS000531823C21H22N2O4S2430.5376 / 13.0Yes
4637242D structureCHEMBL3633757C26H24BrNO4494.3855 / 05.4No
5361462D structureCHEMBL3899832C22H19N5O4417.4258 / 23.6Yes
71502D structureMLS000757136C17H10ClF3N2O2366.7246 / 14.8Yes
71682D structureSMR000160170C13H22BrN5OS376.3173 / 32.1Yes
72852D structureCHEMBL1807874C23H31N3O4S445.5787 / 42.2Yes
74762D structureAC1PGOWBC20H19NO5S385.4346 / 12.8Yes
75062D structureCHEMBL402501C30H40N2O4492.665 / 54.2Yes
78402D structureCHEMBL1078695C30H31N3O2465.5974 / 34.6Yes
5339422D structureUS8551978, I-14C45H52N6O7788.9469 / 63.9No
82372D structureMLS000420322C24H28ClN5O5501.9686 / 32.4No
85782D structureCHEMBL585751C27H38N4O8S578.68110 / 7-2.2No
86012D structureCHEMBL34406C31H31N5O6S601.67811 / 33.4No
88912D structureMLS000075525C20H21N3O5S415.4648 / 02.4Yes
94042D structureCHEMBL100351C30H34N4O8S2642.74211 / 5-0.2No
94072D structure3-benzoyl-6-methoxy-1-(4-methylbenzyl)quinolin-4(1H)-oneC25H21NO3383.4474 / 05.1No
96242D structureCHEMBL1083053C30H35N3O4501.6276 / 14.2No
97612D structureMLS000536654C18H26N6O342.4475 / 22.6Yes
98012D structureMLS000771237C19H19N3O3S369.4396 / 13.0Yes
98762D structureAC-42C20H31NO301.4742 / 05.2No
99432D structureSMR000120908C14H8ClNO3273.6724 / 03.6Yes
100642D structureBambuterolC18H29N3O5367.4466 / 21.2Yes
101062D structureCHEMBL604333C21H23F3N2O4424.428 / 42.7Yes
102022D structureSMR000627669C28H43N5O3497.6845 / 14.3Yes
103002D structureCHEMBL230490C27H30Cl2N2O4517.4475 / 54.3No
104432D structureSB 204070 hydrochlorideC19H27ClN2O4382.8856 / 13.5Yes
105422D structureMLS002554631C32H40N4O5560.6955 / 22.6No
105922D structureCHEMBL39269C30H28N4O4S540.6388 / 33.8No
107182D structureCHEMBL3287723C25H32O7444.5247 / 25.7No
108932D structureCHEMBL1085837C30H41NO7527.6588 / 5N/ANo
5576042D structureCHEMBL172042C18H20N2O5344.3676 / 31.9Yes
109722D structure2-{[(3,4-dimethoxyphenyl)sulfonyl]anilino}-N-propylacetamideC19H24N2O5S392.476 / 12.8Yes
110822D structure60547-97-9C14H19N5O2289.3397 / 21.0Yes
110872D structureSMR000647258C28H27N5O5513.5547 / 22.4No
115332D structure3-MPPIC23H25N5O3419.4855 / 22.7Yes
5339612D structureSCHEMBL741284C51H56N6O7865.0449 / 66.0No
116972D structurePropranolol, L-C16H21NO2259.3493 / 23.0Yes
117092D structureDEXPROPRANOLOLC16H21NO2259.3493 / 23.0Yes
117162D structurepropranololC16H21NO2259.3493 / 23.0Yes
117612D structureMLS000877370C25H25ClN2O4452.9355 / 04.4Yes
4593222D structureCHEMBL550445C25H29N3O3S451.5855 / 43.9Yes
118192D structureCHEMBL466713C23H26N4O3406.4866 / 31.5Yes
118902D structureCHEMBL551350C26H30N2O5450.5356 / 43.2Yes
119532D structureSMR000063640C19H26ClF3N2O5S486.93110 / 12.0Yes
5339652D structureSCHEMBL738913C50H54N6O7851.0179 / 65.5No
5363122D structureUS8551978, I-25C47H48N6O7808.9369 / 64.8No
124272D structureSMR000033354C20H23BrN2O5S483.3777 / 02.9Yes
125012D structureMLS001223940C18H21FN2S316.4382 / 24.2Yes
129772D structureCHEMBL1204006C25H30ClN3O2S472.0444 / 5N/AN/A
130002D structureCHEMBL67998C33H38N4O5S602.757 / 65.7No

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