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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-1 adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRB1
Synonymadrenergic receptor
beta-1 adrenoreceptor
beta-1 adrenergic receptor
ADRB1R
beta1-adrenoceptor
[ Show all ]
DiseaseHigh blood pressure
High blood pressure; Angina
Hypertension
Hypertension; Angina
Hypertension; Angina pectoris
[ Show all ]
Length477
Amino acid sequenceMGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAARRRHATHGDRPRASGCLARPGPPPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV
UniProtP08588
Protein Data BankN/A
GPCR-HGmod modelP08588
3D structure modelThis predicted structure model is from GPCR-EXP P08588.
BioLiPN/A
Therapeutic Target DatabaseT44068
ChEMBLCHEMBL213
IUPHAR28
DrugBankBE0000172

Known ligands

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Total entries: 2180
Page:  / 22 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
9742D structureCHEMBL3298692C32H38N4O6574.6788 / 63.9No
10122D structureCHEMBL2205816C18H20N2O280.3713 / 11.8Yes
10722D structureCHEMBL516056C28H44N2O8S568.72610 / 6N/ANo
12452D structureCHEMBL556022C20H30Cl2N4O3S477.4457 / 5N/AN/A
13392D structureCHEMBL2261203C29H36N4O5S2584.758 / 43.9No
21532D structureBDBM50097799C29H32N4O6S2596.71710 / 63.3No
22772D structure1-(cyclohexylmethyl)pyrrolidineC11H21N167.2961 / 03.1Yes
29252D structureCHEMBL418308C35H32N4O3S2620.7868 / 36.0No
31002D structurePrenalterolC12H19NO3225.2884 / 31.4Yes
32772D structureCHEMBL475389C25H38N2O6S494.6478 / 52.5Yes
35082D structureCHEMBL2348219C25H35N3O6473.577 / 52.3Yes
46012D structureCHEMBL208352C24H25ClN2O3424.9255 / 34.4Yes
46382D structureCHEMBL351183C18H24N4O2S360.4766 / 32.1Yes
50752D structureCHEMBL104481C29H42N4O4510.6796 / 54.1No
51442D structureCHEMBL466923C30H30N4O3494.5955 / 44.5Yes
51892D structureCHEMBL498519C25H24ClNO4437.925 / 32.5Yes
52742D structureCHEMBL279931C19H21ClN2O328.842 / 33.8Yes
52752D structureCHEMBL25823C19H21ClN2O328.842 / 33.8Yes
52772D structureCHEMBL282039C19H21ClN2O328.842 / 33.8Yes
52832D structureCHEMBL26393C19H21ClN2O328.842 / 33.8Yes
55272D structureCHEMBL3128185C30H29FN4O2S528.6467 / 34.2No
63862D structureCHEMBL7776C20H26N2O5S406.4977 / 32.7Yes
64642D structureCHEMBL443435C29H41N3O10S623.71812 / 7N/ANo
66682D structureCHEMBL1203989C24H27ClN4O4S503.0146 / 5N/ANo
4637382D structureCHEMBL3633757C26H24BrNO4494.3855 / 05.4No
5361442D structureCHEMBL3899832C22H19N5O4417.4258 / 23.6Yes
72842D structureCHEMBL1807874C23H31N3O4S445.5787 / 42.2Yes
78412D structureCHEMBL1078695C30H31N3O2465.5974 / 34.6Yes
82152D structureBW-723C86C16H18N2OS286.3933 / 23.0Yes
85772D structureCHEMBL585751C27H38N4O8S578.68110 / 7-2.2No
85812D structureCHEMBL479530C26H35Cl3N4O4S606.07 / 7N/ANo
85992D structureCHEMBL34406C31H31N5O6S601.67811 / 33.4No
91222D structureCHEMBL183611C26H31N3O5465.556 / 52.7Yes
94062D structureCHEMBL100351C30H34N4O8S2642.74211 / 5-0.2No
96222D structureCHEMBL1083053C30H35N3O4501.6276 / 14.2No
98562D structureAC-42C20H31NO301.4742 / 05.2No
101052D structureCHEMBL604333C21H23F3N2O4424.428 / 42.7Yes
104362D structureSB 204070 hydrochlorideC19H27ClN2O4382.8856 / 13.5Yes
104642D structureBDBM50097795C25H27N5O5S509.5818 / 42.0No
105912D structureCHEMBL39269C30H28N4O4S540.6388 / 33.8No
106562D structureCHEMBL350581C18H23N3O3S361.466 / 22.1Yes
107192D structureCHEMBL3287723C25H32O7444.5247 / 25.7No
108942D structureCHEMBL1085837C30H41NO7527.6588 / 5N/ANo
116942D structurePropranolol, L-C16H21NO2259.3493 / 23.0Yes
117052D structureDEXPROPRANOLOLC16H21NO2259.3493 / 23.0Yes
117192D structurepropranololC16H21NO2259.3493 / 23.0Yes
117722D structureCHEMBL550445C25H29N3O3S451.5855 / 43.9Yes
118052D structureCHEMBL321957C28H36N4O5S540.6798 / 44.0No
118172D structureCHEMBL466713C23H26N4O3406.4866 / 31.5Yes
118922D structureCHEMBL551350C26H30N2O5450.5356 / 43.2Yes
119312D structureESMOLOLC16H25NO4295.3795 / 21.9Yes
122282D structureCHEMBL516804C26H28FNO4437.5116 / 32.3Yes
129752D structureCHEMBL1204006C25H30ClN3O2S472.0444 / 5N/AN/A
129982D structureCHEMBL67998C33H38N4O5S602.757 / 65.7No
131322D structureCHEMBL506518C32H50N2O8S622.81810 / 5N/ANo
132722D structureCHEMBL526472C23H22ClNO3S427.9435 / 32.6Yes
137482D structureCHEMBL310679C12H12N2O2216.242 / 21.4Yes
5480352D structurespermidineC7H19N3145.253 / 3-1.0Yes
140762D structureCHEMBL3128199C25H27FN4O2S466.5757 / 43.3Yes
141492D structureCHEMBL184407C24H27N3O6S3549.6759 / 43.2No
141512D structureCHEMBL107382C30H36F2N4O4554.6398 / 54.0No
142432D structure180083-23-2C32H32N4O3520.6336 / 05.6No
146112D structureCHEMBL469884C26H30N2O4434.5366 / 41.6Yes
147302D structureCHEMBL109288C19H26ClN3O3S411.9456 / 22.3Yes
151202D structureCHEMBL289390C19H23ClN4O7S3551.04411 / 50.2No
153652D structureCHEMBL1089734C28H27N3O2437.5434 / 34.0Yes
154632D structureCHEMBL2205829C19H19NO3309.3654 / 12.2Yes
160552D structureCHEMBL63825C31H29F3N6O5S654.66513 / 34.7No
5219552D structureAM-0902C17H15ClN6O2370.7976 / 02.3Yes
164282D structureCHEMBL29141C10H12N2O3S240.2775 / 40.0Yes
164952D structureFORMOTEROL FUMARATE HYDRATEC23H30N2O9478.49810 / 7N/ANo
165002D structureYM-08316C23H30N2O9478.49810 / 7N/ANo
165802D structureCHEMBL1257914C26H28N4O3S476.5958 / 34.5Yes
166772D structureCHEMBL101132C27H33N5O6S555.659 / 51.9No
167852D structurePipamperoneC21H30FN3O2375.4885 / 12.0Yes
171392D structureCHEMBL2440659C15H11FN4O2S330.3377 / 12.4Yes
171662D structureCHEMBL490222C30H27ClN2O5531.0056 / 43.4No
173472D structureCHEMBL101606C25H31N5O8S2593.6712 / 5-1.9No
174952D structureCHEMBL559486C31H38N2O6S566.7137 / 44.2No
175152D structureCHEMBL2348210C25H35N3O6473.577 / 52.3Yes
176032D structureCHEMBL33155C32H31FN6O6S646.69412 / 43.3No
180202D structureCHEMBL264819C25H28N4O5S2528.6428 / 52.4No
187142D structureCHEMBL67416C23H28N4O5S472.569 / 41.9Yes
187322D structureCHEMBL270964C26H30N2O3418.5375 / 42.8Yes
188852D structureCHEMBL497281C26H26ClNO4451.9475 / 32.6Yes
193052D structureCHEMBL453048C27H31NO4433.5485 / 32.8Yes
195692D structureCHEMBL3298325C33H34N4O4550.6597 / 63.7No
203532D structureCHEMBL3128187C23H27N5O2405.5025 / 31.9Yes
206012D structureCHEMBL104180C21H23N3O3S397.4936 / 32.1Yes
208302D structureCHEMBL1084656C26H40N2O9S556.67111 / 6N/ANo
213522D structureCHEMBL1684585C23H26N4O2S422.5476 / 42.7Yes
220622D structureCHEMBL2348205C25H34BrN3O5536.4676 / 43.3No
5221472D structureCHEMBL3775436C15H26ClNO3303.8274 / 3N/AN/A
5221652D structureCHEMBL3775769C15H26ClNO3303.8274 / 3N/AN/A
221572D structureCHEMBL250352C21H25N3O3367.4496 / 22.5Yes
224272D structureCHEMBL293818C29H39N5O4S553.7227 / 43.6No
224422D structureCHEMBL284612C23H30N4O7S506.57410 / 6-1.2No
229472D structureCHEMBL383511C24H25ClN2O3424.9255 / 42.3Yes
230242D structureCHEMBL250579C41H42N4O5670.817 / 45.7No
231162D structureCHEMBL1945292C21H27N3O4S417.5247 / 51.2Yes

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