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. Author manuscript; available in PMC: 2018 Jun 25.
Published in final edited form as: AIMS Biophys. 2017 Aug 21;4(3):491–527. doi: 10.3934/biophy.2017.3.491

Table 2.

A comprehensive list of GPCR crystallized with ligands deposited into the Protein Data Bank as of April 19, 2017.

PDB [46] ID Class/Subclass GPCR Ligand Name Ligand Type
1 1F88 [25] Class Aα Rho 11-cis-Retinal
2 1GZM [98] Class Aα Rho 11-cis-Retinal
3 1HZX [94] Class Aα Rho 11-cis-Retinal
4 1JFP [95] Class Aα Rho all-trans-Retinal
5 1L9H [96] Class Aα Rho 11-cis-Retinal
6 1LN6 [97] Class Aα Rho all-trans-Retinal
7 1U19 [99] Class Aα Rho 11-cis-Retinal
8 2G87 [100] Class Aα Rho all-trans-Retinal
9 2HPY [101] Class Aα Rho all-trans-Retinal
10 2I35 [102] Class Aα Rho 11-cis-Retinal
11 2J4Y [103] Class Aα Rho 11-cis-Retinal
12 2PED [104] Class Aα Rho 9-cis-Retinal
13 2X72 [107] Class Aα Rho 11-cis-Retinal
14 3C9L [105] Class Aα Rho 11-cis-Retinal
15 3C9M [105] Class Aα Rho 11-cis-Retinal
16 3OAX [108] Class Aα Rho 11-cis-Retinal
17 3PQR [109] Class Aα Rho all-trans-Retinal
18 3PXO [109] Class Aα Rho all-trans-Retinal
19 4A4M [110] Class Aα Rho all-trans-Retinal
20 5DYS [116] Class Aα Rho all-trans-Retinal
21 5EN0 [116] Class Aα Rho all-trans-Retinal
22 5TE5 [117] Class Aα Rho (2E)-{(4E)-4-[(3E)-4-(2,6,6-trimethylcyclohex- 1-en-1-yl)but-3-en-2-ylidene]cyclohex-2-en- 1-ylidene}acetaldehyde
23 4J4Q [111] Class Aα Rho B-Octylglucoside Agonist-stabilized active receptor conformation
24 2VT4 [72] Class Aα ADRB1 Cyanopindolol Antagonist
25 2Y00 [118] Class Aα ADRB1 Dobutamine Partial Agonist
26 2Y01 [118] Class Aα ADRB1 Dobutamine Partial Agonist
27 2Y02 [118] Class Aα ADRB1 Carmoterol Agonist
28 2Y03 [118] Class Aα ADRB1 Isoprenaline Agonist
29 2Y04 [118] Class Aα ADRB1 Salbutamol Partial Agonist
30 2YCW [74] Class Aα ADRB1 Carazolol Antagonist
31 2YCX [74] Class Aα ADRB1 Cyanopindolol Antagonist
32 2YCY [74] Class Aα ADRB1 Cyanopindolol Antagonist
33 2YCZ [74] Class Aα ADRB1 Iodocyanopindolol Antagonist
34 3ZPQ [119] Class Aα ADRB1 4-(Piperazin-1- yl)-1H-indole Antagonist
35 3ZPR [119] Class Aα ADRB1 4-Methyl-2-(piperazin-1-yl)quinoline Antagonist
36 4AMI [120] Class Aα ADRB1 Bucindolol Agonist
37 4AMJ [120] Class Aα ADRB1 Carvedilol Agonist
38 4BVN [69] Class Aα ADRB1 Cyanopindolol Antagonist
39 5A8E [122] Class Aα ADRB1 7-methylcyanopindolol Agonist
40 5F8U [123] Class Aα ADRB1 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile Antagonist
41 2RH1 [26] Class Aα ADRB2 Carazolol Antagonist
42 3D4S [124] Class Aα ADRB2 Timolol maleate Antagonist
43 3NY8 [126] Class Aα ADRB2 ICI 118,551 Antagonist
44 3NY9 [126] Class Aα ADRB2 Ethyl 4-({(2S)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)- 3-methyl-1-benzofuran-2-carboxylate Antagonist
45 3NYA [126] Class Aα ADRB2 Alprenolol Antagonist
46 3P0G [127] Class Aα ADRB2 BI 167107 Agonist
47 3PDS [128] Class Aα ADRB2 FAUC50 Agonist
48 3SN6 [18] Class Aα ADRB2 BI 167107 Agonist
49 4GBR [129] Class Aα ADRB2 BI 167107 Agonist
50 4LDE [130] Class Aα ADRB2 BI 167107 Agonist
51 4LDL [130] Class Aα ADRB2 Hydroxybenzyl isoproterenol Agonist
52 4LDO [130] Class Aα ADRB2 Epinephrine Agonist
53 4QKX [131] Class Aα ADRB2 FAUC37 Agonst
54 5D5A [132] Class Aα ADRB2 Carazolol Antagonist
55 5D5B [132] Class Aα ADRB2 Carazolol Antagonist
56 5D6L [133] Class Aα ADRB2 Carazolol Antagonist
57 5JQH [134] Class Aα ADRB2 Carazolol Antagonist
58 3RZE [135] Class Aα H1R Doxepin (E/Z) Antagonist
59 3PBL [6] Class Aα D3R Eticlopride Antagonist
60 4IAQ [136] Class Aα 5-HT1B Dihydroergotamine Agonist
61 4IAR [136] Class Aα 5-HT1B Ergotamine Agonist
62 4IB4 [137] Class Aα 5-HT2B Ergotamine Agonist
63 4NC3 [138] Class Aα 5-HT2B Ergotamine Agonist
64 5TVN [139] Class Aα 5-HT2B (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline- 8-carboxamide Agonist
65 5CXV [140] Class Aα M1R Tiotropium Antagonist
66 3UON [141] Class Aα M2R 3-quinuclidinyl-benzilate Antagonist
67 4MQS [142] Class Aα M2R Iperoxo Agonist
68 4MQT [142] Class Aα M2R Iperoxo/LY2119620 Agonist/Allosteric modulator
69 4DAJ [143] Class Aα M3R Tiotropium Antagonist
70 4U14 [144] Class Aα M3R Tiotropium Antagonist
71 4U15 [144] Class Aα M3R Tiotropium Antagonist
72 4U16 [144] Class Aα M3R N-methyl scopolamine Antagonist
73 5DSG [140] Class Aα M4R Tiotropium Antagonist
74 5UEN [145] Class Aα A1AR DU172 Antagonist
75 2YDO [147] Class Aα A2AR Adensoine Agonist
76 2YDV [147] Class Aα A2AR NECA Agonist
77 3EML [37] Class Aα A2AR ZM241385 Antagonist
78 3PWH [146] Class Aα A2AR ZM241385 Antagonist
79 3QAK [68] Class Aα A2AR UK-432097 Agonist
80 3REY [146] Class Aα A2AR XAC Antagonist
81 3RFM [146] Class Aα A2AR Caffeine Antagonist
82 3UZA [149] Class Aα A2AR 6-(2,6-Dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine Antagonist
83 3UZC [149] Class Aα A2AR 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol Antagonist
84 3VG9 [148] Class Aα A2AR ZM241385 Antagonist
85 3VGA [148] Class Aα A2AR ZM241385 Antagonist
86 4EIY [66] Class Aα A2AR ZM241385 Antagonist
87 4UG2 [150] Class Aα A2AR CGS21680 Agonist
88 4UHR [150] Class Aα A2AR CGS21680 Agonist
89 5G53 [153] Class Aα A2AR DB03719 Agonist
90 5IU4 [151] Class Aα A2AR ZM241385 Antagonist
91 5IU7 [151] Class Aα A2AR Compound 12c Antagonist
92 5IU8 [151] Class Aα A2AR Compound 12f Antagonist
93 5IUA [151] Class Aα A2AR Compound 12b Antagonist
94 5IUB [151] Class Aα A2AR Compound 12x Antagonist
95 5K2A [152] Class Aα A2AR ZM241385 Antagonist
96 5K2B [152] Class Aα A2AR ZM241385 Antagonist
97 5K2C [152] Class Aα A2AR ZM241385 Antagonist
98 5K2D [152] Class Aα A2AR ZM241385 Antagonist
99 5UIG [154] Class Aα A2AR 5-amino-N-[(2-methoxyphenyl)methyl]-2-(3- methylphenyl)-2H-1,2,3-triazole-4-carboximidamide Angatonist
100 3V2W [155] Class Aα S1P1 ML056 Antagonist
101 3V2Y [155] Class Aα S1P1 ML056 Antagonist
102 4Z34 [156] Class Aα LPA1 ONO9780307 Antagonist
103 4Z35 [156] Class Aα LPA1 ONO-9910539 Antagonist
104 4Z36 [156] Class Aα LPA1 ONO-3080573 Antagonist
105 5TGZ [157] Class Aα CB1 AM6538 Antagonist
106 5U09 [158] Class Aα CB1 Taranabant Antagonist
107 3ZEV [160] Class Aβ NTSR1 Neurotensin Agonist
108 4BUO [160] Class Aβ NTSR1 Neurotensin Agonist
109 4BV0 [160] Class Aβ NTSR1 Neurotensin Agonist
110 4BWB [160] Class Aβ NTSR1 Neurotensin Agonist
111 4GRV [159] Class Aβ NTSR1 Neurotensin Agonist
112 4XEE [161] Class Aβ NTSR1 Neurotensin Agonist
113 4XES [161] Class Aβ NTSR1 Neurotensin Agonist
114 5T04 [162] Class Aβ NTSR1 Neurotensin Agonist
115 4ZJ8 [41] Class Aβ OX1 Suvorexant Dual Antagonist
116 4ZJC [41] Class Aβ OX1 SB-674042 Antagonist
117 4S0V [163] Class Aβ OX2 Suvorexant Dual Antagonist
118 5GLH [165] Class Aβ ET-B Endothelin-1 Agonist
119 5T1A [167] Class Aγ CCR2 BMS-681/CCR2-RA-[R] Orthosteric/allosteric antagonist
120 3ODU [168] Class Aγ CXCR4 IT1t Antagonist
121 3OE0 [168] Class Aγ CXCR4 CVX15 Antagonist
122 3OE6 [168] Class Aγ CXCR4 IT1t Antagonist
123 3OE8 [168] Class Aγ CXCR4 IT1t Antagonist
124 3OE9 [168] Class Aγ CXCR4 IT1t Antagonist
125 4MBS [170] Class Aγ CCR5 Maraviroc Antagonist
126 5LWE [171] Class Aγ CCR9 Vercirnon Antagonist
127 4EA3 [39] Class Aγ NOP Banyu Compound-24 (C-24) Antagonist
128 5DHG [172] Class Aγ NOP Compound-35 (C-35) Antagonist
129 5DHH [172] Class Aγ NOP SB-612111 Antagonist
130 4DJH [173] Class Aγ κ-OR JDTic Antagonist
131 4DKL [174] Class Aγ μ-OR Beta-FNA Antagonist
132 5C1M [175] Class Aγ μ-OR BU72 Agonist
133 4EJ4 [176] Class Aγ δ-OR Naltrindole Antagonist
134 4N6H [70] Class Aγ δ-OR Naltrindole Antagonist
135 4RWA [177] Class Aγ δ-OR Bifunctional Peptide H-Dmt(1)-Tic(2)-Phe(3)-Phe(4)-NH2 (DIPP-NH2) Antagonist
136 4RWD [177] Class Aγ δ-OR Bifunctional Peptide H-Dmt(1)-Tic(2)-Phe(3)-Phe(4)-NH2 (DIPP-NH2) Antagonist
137 4YAY [178] Class Aγ AT1R ZD7155 Antagonist
138 4ZUD [179] Class Aγ AT1R Olmesartan Inverse Agonist
139 5UNF [180] Class Aγ AT2R N-benzyl-N-(2-ethyl-4-oxo-3-{[2′-(2H-tetrazol- 5-yl)[1,1′-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin- 6-yl)thiophene-2-carboxamide
140 5UNG [180] Class Aγ AT2R N-benzyl-N-(2-ethyl-4-oxo-3-{[2′-(2H-tetrazol- 5-yl)[1,1′-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin- 6-yl)thiophene-2-carboxamide
141 5UNH [180] Class Aγ AT2R N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl- 3-{[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide
142 4XNW [182] Class Aδ P2Y1 MRS2500 Antagonist
143 4XNV [182] Class Aδ P2Y1 BPTU Antagonist
144 4NTJ [42] Class Aδ P2Y12 AZD1283 Antagonist
145 4PXZ [183] Class Aδ P2Y12 2MeSADP Agonist
146 4PY0 [183] Class Aδ P2Y12 2MeSADP Agonist
147 3VW7 [71] Class Aδ PAR1 Vorapaxar Antagonist
148 5EE7 [78] Class B GCGR MK-0893 Antagonist
149 4K5Y [186] Class B CRF1R CP-376395 Antagonist
150 4Z9G [187] Class B CRF1R CP-376395 Antagonist
151 4OR2 [188] Class C mGlu1 FITM Negative Allosteric Modulator
152 4OO9 [38] Class C mGlu5 Mavoglurant Negative Allosteric Modulator
153 5CGC [189] Class C mGlu5 HTL14242 Antagonist
154 5CGD [189] Class C mGlu5 HTL14242 Antagonist
155 4JKV [40] Class F SMO LY2940680 Antagonist
156 4N4W [190] Class F SMO SANT-1 Antagonist
157 4O9R [131] Class F SMO Cyclopamine Antagonist
158 4QIM [190] Class F SMO Anta XV Antagonist
159 4QIN [190] Class F SMO SAG1.5 Agonist
160 5L7D [93] Class F SMO Cholesterol
161 5L7I [93] Class F SMO Vismodegib Antagonist