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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

NameEndothelin-1 receptor
SpeciesHomo sapiens (Human)
GeneEDNRA
SynonymET-A
ETA receptor
ET-AR
ENDOR
ETA-R
[ Show all ]
DiseaseVasospasm following subarachnoid hemorrhage
Unspecified
Solid tumours
Pulmonary hypertension
Pulmonary arterial hypertension
[ Show all ]
Length427
Amino acid sequenceMETLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYRGEQHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYNEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHDQNNHNTDRSSHKDSMN
UniProtP25101
Protein Data BankN/A
GPCR-HGmod modelP25101
3D structure modelThis predicted structure model is from GPCR-EXP P25101.
BioLiPN/A
Therapeutic Target DatabaseT23499
ChEMBLCHEMBL252
IUPHAR219
DrugBankBE0000521

Known ligands

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Total entries: 1801
Page:  / 19 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
2662D structureCHEMBL329744C30H36N4O5532.6418 / 22.5No
4392D structureCHEMBL31662C27H22O5426.4685 / 24.5Yes
11622D structureCHEMBL10781C29H28O10536.53310 / 13.9No
17012D structureCHEMBL103001C24H21NO5403.4346 / 13.8Yes
23892D structureCHEMBL2165330C24H22BrClN6O6S637.8912 / 24.1No
29232D structureCHEMBL540049C16H28ClN2O4P378.8346 / 2N/AN/A
29332D structureCHEMBL94438C30H26F2N4O4544.5599 / 22.1No
32922D structureCHEMBL47868C29H29NO10551.54811 / 21.7No
32942D structureCHEMBL298664C29H29NO10551.54811 / 21.7No
33622D structureCHEMBL367444C29H33N5O7S3659.79113 / 24.9No
33772D structureCHEMBL9139C27H34N2O6482.5777 / 11.7Yes
35722D structureCHEMBL545490C13H17ClN2O252.7423 / 1N/AN/A
46712D structureCHEMBL10860C28H21NO6467.4777 / 14.3Yes
52902D structureCHEMBL316523C37H41NO12691.7312 / 16.4No
54672D structureCHEMBL348685C20H22N2O3S2402.5276 / 14.6Yes
58302D structureCHEMBL70924C30H34N6O6S606.69810 / 34.9No
62262D structureCHEMBL306218C21H20N2O4364.4016 / 13.4Yes
62822D structureCHEMBL102825C23H19NO5389.4076 / 13.4Yes
65142D structureCHEMBL147238C22H19N3O4S421.4716 / 13.2Yes
65782D structureCHEMBL9141C24H28N2O6440.4967 / 20.6Yes
66172D structurecarbacholC6H15ClN2O2182.6483 / 1N/AN/A
68242D structureCHEMBL303743C21H22ClN3O6S2511.9929 / 23.9No
71042D structureCHEMBL92612C22H20N4O4404.4267 / 2-0.4Yes
78022D structureCHEMBL545738C12H14ClFN2O256.7054 / 1N/AN/A
82932D structureCHEMBL544331C15H21ClN2O4328.7936 / 1N/AN/A
84402D structureCHEMBL274370C24H19NO6417.4176 / 14.9Yes
86242D structureCHEMBL94525C50H66N8O10939.12411 / 102.3No
93072D structureCHEMBL319679C33H29NO4503.5985 / 08.0No
94032D structureCHEMBL316247C29H25N3O4479.5365 / 25.3No
98642D structureAC-42C20H31NO301.4742 / 05.2No
99142D structureCHEMBL343785C21H22ClN3O6S2511.9929 / 23.9No
102382D structureCHEMBL414082C55H73N7O10992.22810 / 98.2No
103672D structureCHEMBL296927C20H18ClN3O8S2527.94711 / 23.1No
104182D structureCHEMBL281977C32H29N5O5S595.6748 / 15.1No
114252D structureCHEMBL123997C32H36N2O6544.6487 / 23.4No
116242D structureCHEMBL102969C27H27NO5445.5156 / 15.1No
5217872D structurepropranololC16H21NO2259.3493 / 23.0Yes
118382D structureCHEMBL146845C24H31N3O3S441.596 / 26.1No
122892D structureCHEMBL275701C28H26O9506.5079 / 14.0No
123722D structureCHEMBL368945C31H29N5O9S3711.77915 / 24.9No
124152D structureCHEMBL416518C24H17NO6415.4016 / 14.7Yes
124182D structureCHEMBL2163720C25H27BrN8O6S647.50514 / 23.2No
127142D structureCHEMBL450628C27H31N5O4489.5768 / 20.4Yes
128232D structureCHEMBL541312C20H25ClN2O2360.8824 / 1N/AN/A
128772D structureCHEMBL286682C14H19N3O3S309.3846 / 22.6Yes
134212D structureCHEMBL323331C51H67N7O10938.13610 / 96.6No
135392D structureCHEMBL172030C31H32N6O7S3696.81214 / 25.2No
137182D structureCHEMBL1271640C32H31NO8557.5999 / 26.3No
138922D structure5-Bromo-N,N-dimethyltryptamineC12H15BrN2267.171 / 12.2Yes
149482D structureCHEMBL330135C34H34ClFN4O4617.1188 / 24.5No
153362D structureCHEMBL266684C17H16IN3O2S453.2985 / 13.7Yes
156202D structureCHEMBL103501C34H29NO7563.6067 / 16.3No
156572D structureSCHEMBL5351769C26H24N6O5500.51510 / 3-0.5No
157702D structureCHEMBL332109C38H37F3N2O8706.71512 / 3N/ANo
158622D structureCHEMBL43788C17H16ClN3O6S2457.99 / 23.0Yes
163672D structureCHEMBL432815C19H21BrN2O3S2469.4126 / 15.9No
165682D structureCHEMBL23418C30H30N2O7S562.6377 / 15.1No
166602D structureCHEMBL274489C27H30N4O5S522.628 / 14.7No
168942D structureCHEMBL6543C18H19BrN4O2S435.346 / 13.9Yes
169122D structureCID 57486785C8H14BrNO2236.1093 / 1N/AN/A
171052D structureCHEMBL96114C32H32N4O4536.6327 / 22.7No
171332D structureCHEMBL2440659C15H11FN4O2S330.3377 / 12.4Yes
5219892D structureCHEMBL3735236C37H45N7O4S683.8729 / 25.4No
176582D structureCHEMBL1627022C27H27BrN5NaO5S636.49710 / 1N/ANo
180212D structureCHEMBL424101C19H20ClN3O5S2469.9558 / 33.3Yes
185822D structureCHEMBL359273C21H18N4O3S406.467 / 13.6Yes
187362D structureCHEMBL149050C20H22N2O5S2434.5257 / 13.4Yes
191732D structureCHEMBL61211C27H24O7460.4827 / 14.9Yes
196512D structureCHEMBL434082C21H24N2O3S384.4945 / 15.2No
201552D structureCHEMBL65939C31H31NO7529.5898 / 14.5No
203882D structureCHEMBL2163722C25H25BrN8O7S661.48815 / 11.8No
204382D structureCHEMBL172297C31H36N4O7S3672.8312 / 26.1No
208952D structureCHEMBL342615C30H42N6O8S646.768 / 61.6No
209042D structureCHEMBL286808C19H14O5322.3165 / 22.1Yes
210712D structureCHEMBL267096C26H24O6432.4726 / 14.2Yes
211682D structureCHEMBL101292C29H20ClNO4481.9325 / 06.9No
212992D structureCHEMBL545270C12H14Cl2N2O273.1573 / 1N/AN/A
215352D structureCHEMBL175057C28H25N9O5S599.62613 / 23.2No
217182D structureCHEMBL283582C19H20ClN3O4S2453.9567 / 24.6Yes
217652D structureCHEMBL269409C29H22O6466.4896 / 15.3No
5221502D structureCHEMBL3775436C15H26ClNO3303.8274 / 3N/AN/A
5221832D structureCHEMBL3775769C15H26ClNO3303.8274 / 3N/AN/A
222942D structureCHEMBL102314C27H27NO5445.5156 / 15.0Yes
223292D structure184040-74-2C9H7ClN2O5S2322.7348 / 21.8Yes
227232D structureCHEMBL47417C18H18BrN3O4S2484.3837 / 24.3Yes
230592D structureCHEMBL343578C21H25ClN4O4S2497.0258 / 24.0Yes
234582D structureCHEMBL45875C18H18N2O4S2390.4727 / 13.6Yes
243162D structureCHEMBL170335C23H32O5388.5045 / 23.4Yes
244582D structureCHEMBL2165332C24H23BrN6O4S571.4510 / 24.0No
248242D structureCHEMBL10733C25H19ClO6450.8716 / 14.7Yes
254312D structureCHEMBL41087C24H20O6404.4186 / 24.1Yes
254532D structureCHEMBL123316C34H37F3N2O8658.67112 / 3N/ANo
256172D structureCHEMBL343867C20H23N3O3S385.4826 / 24.1Yes
257652D structureCHEMBL122832C29H30N2O8534.5659 / 21.2No
259112D structureCHEMBL554094C11H16ClN3O241.7194 / 1N/AN/A
259732D structureCHEMBL79054C11H10Cl2N2O3S321.1725 / 12.9Yes
261742D structureCHEMBL314755C30H27FN4O4526.5688 / 22.0No
268892D structureCHEMBL1271691C32H31NO8557.5999 / 26.3No
269582D structureCHEMBL276615C23H17NO5387.3915 / 14.9Yes
272212D structureCHEMBL2203713C18H22N4S326.4624 / 22.9Yes

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