ChEMBL Resources

Resources:
ChEMBL
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SureChEMBL
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ChEMBL-NTD
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ChEMBL-Malaria
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The SARfaris: GPCR, Kinase, ADME
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UniChem
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DrugEBIlity
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ECBD

GPCR Structures

UniProtUnique IDChainName Ligand Species ResolutionDate releasedParent PDBa b c alphabetagammaSpace Group
P026991f88AARhodopsin retinal Bos taurus 2.84 Aug 20001f8897.24697.246149.54490.0090.0090.00P 41
P026991f88BBRhodopsin retinal Bos taurus 2.84 Aug 20001f8897.24697.246149.54490.0090.0090.00P 41
P026991hzxAARhodopsin retinal Bos taurus 2.84 Jul 20011hzx97.24697.246149.54490.0090.0090.00P 41
P026991hzxBBRhodopsin retinal Bos taurus 2.84 Jul 20011hzx97.24697.246149.54490.0090.0090.00P 41
P026991l9hAARhodopsin retinal Bos taurus 2.615 May 20021l9h96.74596.745149.30090.0090.0090.00P 41
P026991l9hBBRhodopsin retinal Bos taurus 2.615 May 20021l9h96.74596.745149.30090.0090.0090.00P 41
P026991u19AARhodopsin retinal Bos taurus 2.212 Oct 20041u1996.68096.680150.20090.0090.0090.00P 41
P026991u19BBRhodopsin retinal Bos taurus 2.212 Oct 20041u1996.68096.680150.20090.0090.0090.00P 41
P026992g87AARhodopsin retinal Bos taurus 2.62 Mar 20062g8796.49096.490150.40090.0090.0090.00P 41
P026992g87BBRhodopsin retinal Bos taurus 2.62 Mar 20062g8796.49096.490150.40090.0090.0090.00P 41
P026992hpyAARhodopsin retinal Bos taurus 2.818 Jul 20062hpy96.72096.720150.40090.0090.0090.00P 41
P026992hpyBBRhodopsin retinal Bos taurus 2.818 Jul 20062hpy96.72096.720150.40090.0090.0090.00P 41
P026992i35 ARhodopsin retinal Bos taurus 3.817 Oct 20062i35277.534277.53466.32190.0090.00120.00H 3 2
P026992i36AARhodopsin apo Bos taurus 4.117 Oct 20062i36159.866159.866142.15090.0090.00120.00P 31 1 2
P026992i36BBRhodopsin apo Bos taurus 4.117 Oct 20062i36159.866159.866142.15090.0090.00120.00P 31 1 2
P026992i36CCRhodopsin apo Bos taurus 4.117 Oct 20062i36159.866159.866142.15090.0090.00120.00P 31 1 2
P026992i37AARhodopsin apo Bos taurus 4.117 Oct 20062i37161.245161.245143.44290.0090.00120.00P 31 1 2
P026992i37BBRhodopsin apo Bos taurus 4.117 Oct 20062i37161.245161.245143.44290.0090.00120.00P 31 1 2
P026992i37CCRhodopsin apo Bos taurus 4.117 Oct 20062i37161.245161.245143.44290.0090.00120.00P 31 1 2
P026992j4yAARhodopsin retinal Bos taurus 3.425 Sep 20072j4y109.300109.30077.70090.0090.00120.00P 31
P026992j4yBBRhodopsin retinal Bos taurus 3.425 Sep 20072j4y109.300109.30077.70090.0090.00120.00P 31
P026992pedAARhodopsin retinal Bos taurus 2.92 Apr 20072ped95.96095.960150.84090.0090.0090.00P 41
P026992pedBBRhodopsin retinal Bos taurus 2.92 Apr 20072ped95.96095.960150.84090.0090.0090.00P 41
P026993capAARhodopsin apo Bos taurus 2.924 Jun 20083cap242.917242.918110.42090.0090.00120.00H 3
P026993capBBRhodopsin apo Bos taurus 2.924 Jun 20083cap242.917242.918110.42090.0090.00120.00H 3
P026993dqb ARhodopsin apo Bos taurus 3.223 Sep 20083dqb238.020238.020109.13290.0090.00120.00H 3 2
P026993c9l ARhodopsin retinal Bos taurus 2.65 Aug 20083c9l103.820103.82076.59090.0090.00120.00P 64
P026993c9m ARhodopsin retinal Bos taurus 3.416 Feb 20083c9m109.300109.30077.70090.0090.00120.00P 64
P026991gzmAARhodopsin retinal Bos taurus 2.620 Nov 20031gzm103.820103.82076.59090.0090.00120.00P 31
P026991gzmBBRhodopsin retinal Bos taurus 2.620 Nov 20031gzm103.820103.82076.59090.0090.00120.00P 31
P313562z73AARhodopsin retinal Todarodes pacificus2.513 May 20082z73122.550122.550158.74090.0090.00120.00P 62
P313562z73BBRhodopsin retinal Todarodes pacificus2.513 May 20082z73122.550122.550158.74090.0090.00120.00P 62
P313562ziyAARhodopsin retinal Todarodes pacificus3.727 Feb 20082ziy84.319108.746142.16590.0090.0090.00C 2 2 21
P313563aymAARhodopsin retinal Todarodes pacificus2.89 May 20113aym122.360122.360158.22090.0090.00120.00P 62
P313563aymBARhodopsin retinal Todarodes pacificus2.89 May 20113aym122.360122.360158.22090.0090.00120.00P 62
P313563aynAARhodopsin retinal Todarodes pacificus2.79 May 20113ayn122.540122.540158.53090.0090.00120.00P 62
P313563aynBARhodopsin retinal Todarodes pacificus2.79 May 20113ayn122.540122.540158.53090.0090.00120.00P 62
P075502r4r Abeta-2 Adrenergic receptorapo Homo sapiens 3.46 Nov 20072r4r338.38048.48089.35090.00104.6090.00C 1 2 1
P075502r4s Abeta-2 Adrenergic receptorapo Homo sapiens 3.46 Nov 20072r4s338.38048.48089.35090.00104.6090.00C 1 2 1
P075502rh1 Abeta-2-Adrenergic receptorCarazolol Homo sapiens 2.430 Oct 20072rh1106.318169.24040.15490.00105.6290.00C 1 2 1
P075503d4s Abeta-2 Adrenergic receptorTimolol Homo sapiens 2.817 Jun 20083d4s40.00075.700172.73090.0090.0090.00P 21 21 21
P075503kj6 Abeta-2 Adrenergic receptorapo Homo sapiens 3.416 Feb 20103kj6338.60048.60088.90090.00104.4090.00C 1 2 1
P075503ny8 Abeta-2 Adrenergic receptorICI-118551 Homo sapiens 2.811 Aug 20103ny840.71176.148174.20790.0090.0090.00P 21 21 21
P075503ny9 Abeta-2 Adrenergic receptorICI-118551 analogueHomo sapiens 2.811 Aug 20103ny940.58075.900174.18090.0090.0090.00P 21 21 21
P075503nya Abeta-2 Adrenergic receptorAlprenolol Homo sapiens 3.211 Aug 20103nya40.57775.730173.40390.0090.0090.00P 21 21 21
P075503p0gAAbeta-2 Adrenergic receptor8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-oneHomo sapiens 3.528 Sep 20103p0g236.68645.66071.37590.00102.3490.00C 1 2 1
P075503pdsAAbeta-2 Adrenergic receptor8-hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1H)-oneHomo sapiens 3.524 Oct 20103pds282.44040.04065.21090.0090.0090.00P 21 21 2
P075503sn6RRbeta-2 Adrenergic receptor8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-oneHomo sapiens 3.228 Jun 20113sn6119.33964.555131.24090.0091.6790.00P 1 21 1
P077002vt4AAbeta-1 Adrenergic receptorCyanopindolol Meleagris gallopavo2.724 Jun 20082vt455.50086.80095.50067.6073.3085.80P 1
P077002vt4BBbeta-1 Adrenergic receptorCyanopindolol Meleagris gallopavo2.724 Jun 20082vt455.50086.80095.50067.6073.3085.80P 1
P077002vt4CCbeta-1 Adrenergic receptorCyanopindolol Meleagris gallopavo2.724 Jun 20082vt455.50086.80095.50067.6073.3085.80P 1
P077002vt4DDbeta-1 Adrenergic receptorCyanopindolol Meleagris gallopavo2.724 Jun 20082vt455.50086.80095.50067.6073.3085.80P 1
P077002y00AAbeta-1 Adrenergic receptorDobutamine Meleagris gallopavo2.530 Nov 20102y0090.00060.500101.90090.00110.2090.00P 1 21 1
P077002y00BBbeta-1 Adrenergic receptorDobutamine Meleagris gallopavo2.530 Nov 20102y0090.00060.500101.90090.00110.2090.00P 1 21 1
P077002y01AAbeta-1 Adrenergic receptorDobutamine Meleagris gallopavo2.630 Nov 20102y0190.10061.600101.40090.00108.9090.00P 1 21 1
P077002y01BBbeta-1 Adrenergic receptorDobutamine Meleagris gallopavo2.630 Nov 20102y0190.10061.600101.40090.00108.9090.00P 1 21 1
P077002y02AAbeta-1 Adrenergic receptorCarmoterol Meleagris gallopavo2.630 Nov 20102y0289.60061.700101.40090.00109.3090.00P 1 21 1
P077002y02BBbeta-1 Adrenergic receptorCarmoterol Meleagris gallopavo2.630 Nov 20102y0289.60061.700101.40090.00109.3090.00P 1 21 1
P077002y03AAbeta-1 Adrenergic receptorIsoprenaline Meleagris gallopavo2.930 Nov 20102y0389.70061.600101.60090.00109.7090.00P 1 21 1
P077002y03BBbeta-1 Adrenergic receptorIsoprenaline Meleagris gallopavo2.930 Nov 20102y0389.70061.600101.60090.00109.7090.00P 1 21 1
P077002y04AAbeta-1 Adrenergic receptorSalbutamol Meleagris gallopavo3.130 Nov 20102y0489.90062.000101.50090.00109.9090.00P 1 21 1
P077002y04BBbeta-1 Adrenergic receptorSalbutamol Meleagris gallopavo3.130 Nov 20102y0489.90062.000101.50090.00109.9090.00P 1 21 1
P077002ycwAAbeta-1 Adrenergic receptorS-Carazolol Meleagris gallopavo3.017 Mar 20112ycw89.39857.056109.54290.00113.5290.00P 1 21 1
P077002ycwBBbeta-1 Adrenergic receptorS-Carazolol Meleagris gallopavo3.017 Mar 20112ycw89.39857.056109.54290.00113.5290.00P 1 21 1
P077002ycxAAbeta-1 Adrenergic receptorCyanopindolol Meleagris gallopavo3.217 Mar 20112ycx150.02956.434111.41090.00118.3390.00C 1 2 1
P077002ycxBBbeta-1 Adrenergic receptorCyanopindolol Meleagris gallopavo3.217 Mar 20112ycx150.02956.434111.41090.00118.3390.00C 1 2 1
P077002ycyAAbeta-1 Adrenergic receptorCyanopindolol Meleagris gallopavo3.117 Mar 20112ycy184.76056.16189.77890.00111.2790.00C 1 2 1
P077002ycyBBbeta-1 Adrenergic receptorCyanopindolol Meleagris gallopavo3.117 Mar 20112ycy184.76056.16189.77890.00111.2790.00C 1 2 1
P077002yczAAbeta-1 Adrenergic receptorIodocyanopindolol Meleagris gallopavo3.617 Mar 20112ycz177.85556.298110.93990.00116.3990.00C 1 2 1
P077002yczBBbeta-1 Adrenergic receptorIodocyanopindolol Meleagris gallopavo3.617 Mar 20112ycz177.85556.298110.93990.00116.3990.00C 1 2 1
P081723uon AMuscarinic receptor M2 QNB Homo sapiens 3.016 Nov 20113uon78.17047.26088.12090.00109.7090.00P 1 21 1
P354623pblAADopamine receptor D3 Eticlopride Homo sapiens 2.920 Oct 20103pbl88.82892.492176.11690.0090.0090.00P 21 21 21
P354623pblBBDopamine receptor D3 Eticlopride Homo sapiens 2.920 Oct 20103pbl88.82892.492176.11690.0090.0090.00P 21 21 21
P353673rze AHistamine receptor H1 Doxepin Homo sapiens 3.122 Jun 20113rze88.14488.144331.65490.0090.0090.00I 4 2 2
P214533v2w ASphingosine-1-phosphate receptor{(3R)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl}phosphonic acidHomo sapiens 3.312 Dec 20113v2w107.94069.70081.93090.0090.0090.00P 21 21 2
P292743eml AAdenosine A2a receptor ZM-241385 Homo sapiens 2.614 Oct 20083eml47.73676.93286.55390.00101.3290.00P 1 21 1
P292743qak AAdenosine A2a receptor UK-432097 Homo sapiens 2.711 Jan 20113qak47.83678.94486.57990.00100.5490.00P 1 21 1
P292742ydo AAdenosine A2a receptor adenosine Homo sapiens 3.018 May 20112ydo76.46598.86979.51690.0093.4990.00C 1 2 1
P292742ydv AAdenosine A2a receptor NECA Homo sapiens 2.718 May 20112ydv76.93699.55179.65590.0093.3190.00C 1 2 1
P292743pwh AAdenosine A2a receptor ZM-241385 Homo sapiens 3.38 Dec 20103pwh111.935112.551125.67890.0090.0090.00I 2 2 2
P292743rey AAdenosine A2a receptor XAC Homo sapiens 3.35 Apr 20113rey111.865113.061126.80290.0090.0090.00I 2 2 2
P292743rfm AAdenosine A2a receptor Caffeine Homo sapiens 3.66 Apr 20113rfm112.327113.328129.30090.0090.0090.00I 2 2 2
P610733oduAAChemokine receptor type 4 IT1t Homo sapiens 2.527 Oct 20103odu64.54083.692 119.99590.00102.1790.00P 1 21 1
P610733oduBBChemokine receptor type 4 IT1t Homo sapiens 2.527 Oct 20103odu64.54083.692 119.99590.00102.1790.00P 1 21 1
P610733oe0AAChemokine receptor type 4 CVX-15 Homo sapiens 2.927 Oct 20103oe082.080144.860 73.99090.00104.5490.00C 1 2 1
P610733oe6AAChemokine receptor type 4 IT1t Homo sapiens 3.227 Oct 20103oe671.12178.711 240.59290.0090.0090.00I 2 2 2
P610733oe8AAChemokine receptor type 4 IT1t Homo sapiens 3.127 Oct 20103oe869.36976.602 91.71996.0097.7897.38P 1
P610733oe8BBChemokine receptor type 4 IT1t Homo sapiens 3.127 Oct 20103oe869.36976.602 91.71996.0097.7897.38P 1
P610733oe8CCChemokine receptor type 4 IT1t Homo sapiens 3.127 Oct 20103oe869.36976.602 91.71996.0097.7897.38P 1
P610733oe9AAChemokine receptor type 4 IT1t Homo sapiens 3.127 Oct 20103oe972.49772.739 84.27364.6673.9361.31P 1
P610733oe9BBChemokine receptor type 4 IT1t Homo sapiens 3.127 Oct 20103oe972.49772.739 84.27364.6673.9361.31P 1