Complexes Database

Receptor-Small molecule complexes studied in GPCR-IFP.


PDB code Receptor Chain Receptor state Ligand Type Ligand Code
2G87 opsd A Inactive Retinal small molecule RET
2HPY opsd B Inactive Retinal small molecule RET
2VT4 adrb1 B Inactive (S)-Cyanopindolol small molecule P32
2X72 opsd A Active Retinal small molecule RET
2Y00 adrb1 B Inactive Dobutamine small molecule Y00
2Y01 adrb1 A Inactive Dobutamine small molecule Y00
2Y02 adrb1 B Inactive Carmoterol small molecule WHJ
2Y03 adrb1 B Inactive Isoproterenol small molecule 5FW
2Y04 adrb1 B Inactive Salbutamol small molecule 68H
2YCW adrb1 A Inactive Carazolol small molecule CAU
2YCX adrb1 A Inactive (S)-Cyanopindolol small molecule P32
2YCY adrb1 A Inactive (S)-Cyanopindolol small molecule P32
2YDV aa2ar A Active Neca small molecule NEC
3AYM opsd B Inactive Retinal small molecule RET
3EML aa2ar A Inactive 139180-30-6 small molecule ZMA
3NYA adrb2 A Inactive (s)-alprenolol small molecule JTZ
3ODU cxcr4 A Inactive It1t small molecule ITD
3OE6 cxcr4 A Inactive It1t small molecule ITD
3OE8 cxcr4 A Inactive It1t small molecule ITD
3OE9 cxcr4 A Inactive It1t small molecule ITD
3P0G adrb2 A Active Bi-167107 small molecule P0G
3PBL drd3 A Inactive Eticlopride small molecule ETQ
3PDS adrb2 A Inactive Fauc50 small molecule ERC
3PQR opsd A Active Retinal small molecule RET
3PWH aa2ar A Inactive 139180-30-6 small molecule ZMA
3PXO opsd A Active Retinal small molecule RET
3QAK aa2ar A Active 380221-63-6 small molecule UKA
3REY aa2ar A Inactive Xanthine small molecule XAC
3RZE hrh1 A Inactive Doxepin small molecule 5EH
3SN6 adrb2 R Active Bi-167107 small molecule P0G
3UON acm2 A Inactive 3-quinuclidinyl benzilate small molecule QNB
3UZA aa2ar A Inactive Compound 4g [pmid: 22220592] small molecule T4G
3UZC aa2ar A Inactive 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol small molecule T4E
3V2W s1pr1 A Inactive (R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic small molecule ML5
3V2Y s1pr1 A Inactive (R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic small molecule ML5
3VG9 aa2ar A Inactive 139180-30-6 small molecule ZMA
3VGA aa2ar A Inactive 139180-30-6 small molecule ZMA
3VW7 par1 A Intermediate Vorapaxar small molecule VPX
3ZPQ adrb1 B Inactive 4-(1-piperazinyl)-1h-indole small molecule XF5
3ZPR adrb1 B Inactive 4-methyl-2-piperazin-1-yl-quinoline small molecule 3WC
4A4M opsd A Active Retinal small molecule RET
4AMI adrb1 A Inactive Bucindolol small molecule G90
4BVN adrb1 A Inactive (S)-Cyanopindolol small molecule P32
4DAJ acm3 A Inactive Tiotropium small molecule 0HK
4DJH oprk A Inactive Jdtic small molecule JDC
4EA3 oprx A Inactive 475150-69-7 small molecule 0NN
4EIY aa2ar A Inactive 139180-30-6 small molecule ZMA
4EJ4 oprd A Inactive Naltrindole small molecule EJ4
4IAQ 5ht1b A Inactive Dihydroergotamine small molecule 2GM
4IAR 5ht1b A Inactive Ergotamine small molecule ERM
4IB4 5ht2b A Intermediate Ergotamine small molecule ERM
4LDE adrb2 A Active Bi-167107 small molecule P0G
4LDL adrb2 A Active Hydroxybenzylisoproterenol small molecule XQC
4LDO adrb2 A Active Epinephrine small molecule ALE
4MBS ccr5 A Inactive Maraviroc small molecule MRV
4MQS acm2 A Active Chembl3121473 small molecule IXO
4N6H oprd A Inactive Naltrindole small molecule EJ4
4NC3 5ht2b A Intermediate Ergotamine small molecule ERM
4NTJ p2y12 A Intermediate Azd1283 small molecule AZJ
4PHU ffar1 A Intermediate Fasiglifam small molecule 2YB
4PXZ p2y12 A Intermediate 2-mesadp small molecule 6AD
4PY0 p2y12 A Intermediate 5310983 small molecule 6AT
4QKX adrb2 A Active 4-[(1r)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol small molecule 35V
4S0V ox2r A Inactive Suvorexant small molecule SUV
4U15 acm3 B Inactive Tiotropium small molecule 0HK
4UG2 aa2ar A Active Cgs 21680 small molecule NGI
4UHR aa2ar A Active Cgs 21680 small molecule NGI
4WW3 opsd A Inactive Retinal small molecule RET
4XNW p2ry1 A Intermediate Mrs2500 small molecule 2ID
4YAY agtr1 A Inactive Zd 7155 hydrochloride small molecule ZD7
4Z34 lpar1 A Inactive Ono-9780307 small molecule ON7
4Z35 lpar1 A Inactive Ono-9910539 small molecule ON9
4Z36 lpar1 A Inactive Ono-3080573 small molecule ON3
4ZJ8 ox1r A Inactive Suvorexant small molecule SUV
4ZJC ox1r A Inactive Sb-674042 small molecule 4OT
5CXV acm1 A Inactive Tiotropium small molecule 0HK
5DHG oprx A Inactive C-35 small molecule DGV
5DHH oprx A Inactive Sb-612111 small molecule DGW
5DSG acm4 B Inactive Tiotropium small molecule 0HK
5DYS opsd A Active Retinal small molecule RET
5EN0 opsd A Active Retinal small molecule RET
5F8U adrb1 A Inactive (S)-Cyanopindolol small molecule P32
5G53 aa2ar A Active Neca small molecule NEC
5IU4 aa2ar A Inactive 139180-30-6 small molecule ZMA
5IU7 aa2ar A Inactive 2-(Furan-2-yl)-5-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-8-ium-5,7-diamine small molecule 6DY
5IU8 aa2ar A Inactive Chembl3934661 small molecule 6DZ
5IUA aa2ar A Inactive 2-(Furan-2-yl)-5-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-8-ium-5,7-diamine small molecule 6DX
5IUB aa2ar A Inactive Chembl184061 small molecule 6DV
5JTB aa2ar A Inactive 139180-30-6 small molecule ZMA
5K2A aa2ar A Inactive 139180-30-6 small molecule ZMA
5K2B aa2ar A Inactive 139180-30-6 small molecule ZMA
5K2C aa2ar A Inactive 139180-30-6 small molecule ZMA
5K2D aa2ar A Inactive 139180-30-6 small molecule ZMA
5MZJ aa2ar A Inactive Theophylline small molecule TEP
5MZP aa2ar A Inactive Caffeine small molecule CFF
5N2R aa2ar A Inactive Psb 36 small molecule 8JN
5NDD par2 A Intermediate Chembl4127372 small molecule 8TZ
5NLX aa2ar A Inactive 139180-30-6 small molecule ZMA
5NM2 aa2ar A Inactive 139180-30-6 small molecule ZMA
5NM4 aa2ar A Inactive 139180-30-6 small molecule ZMA
5O9H c5ar1 A Inactive Ndt small molecule 9P2
5OLG aa2ar A Inactive 139180-30-6 small molecule ZMA
5OLH aa2ar A Inactive Vipadenant small molecule 9XT
5OLO aa2ar A Inactive Tozadenant small molecule 9XW
5OLV aa2ar A Inactive 851202-49-8 small molecule 9Y2
5OLZ aa2ar A Inactive 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol small molecule T4E
5OM1 aa2ar A Inactive 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol small molecule T4E
5OM4 aa2ar A Inactive 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol small molecule T4E
5TGZ cnr1 A Inactive Am6538 small molecule ZDG
5TUD 5ht2b D Active Ergotamine small molecule ERM
5TVN 5ht2b A Intermediate Lysergide small molecule 7LD
5TZR ffar1 A Intermediate Mk-8666 small molecule MK6
5UEN aa1r B Inactive Du172 small molecule DU1
5UIG aa2ar A Inactive 5-amino-n-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2h-1,2,3-triazole-4-carboximidamide small molecule 8D1
5UNF agtr2 A Active N-Benzyl-N-[2-ethyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]thiophene-2-carboxamide small molecule 8ES
5UNG agtr2 B Active N-Benzyl-N-[2-ethyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]thiophene-2-carboxamide small molecule 8ES
5UNH agtr2 B Active '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' small molecule 8EM
5UVI aa2ar A Inactive 139180-30-6 small molecule ZMA
5VRA aa2ar A Inactive 139180-30-6 small molecule ZMA
5WF5 aa2ar A Active 380221-63-6 small molecule UKA
5WF6 aa2ar A Active 380221-63-6 small molecule UKA
5WIU drd4 A Inactive Nemonapride small molecule AQD
5WIV drd4 A Inactive Nemonapride small molecule AQD
5WQC ox2r A Inactive Empa small molecule 7MA
5WS3 ox2r A Inactive Empa small molecule 7MA
5X93 ednrb A Inactive K-8794 small molecule K87
5XR8 cnr1 A Active 8D0 small molecule 8D0
5XRA cnr1 A Active Chembl1683648 small molecule 8D3
5YC8 acm2 A Inactive Methscopolamine small molecule 3C0
5YWY pe2r4 A Inactive Ono-ae3-208 small molecule 7UR
5ZBH npy1r A Inactive Bms-193885 small molecule 9AF
5ZBQ npy1r A Inactive UR-MK299 small molecule 9AO
5ZHP acm3 B Inactive (1r,2r,4s,5s,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium small molecule 9EC
5ZK3 acm2 A Inactive 3-quinuclidinyl benzilate small molecule QNB
5ZK8 acm2 A Inactive Methscopolamine small molecule 3C0
5ZKB acm2 A Inactive AF-DX small molecule 82F
5ZKC acm2 A Inactive Methscopolamine small molecule 3C0
5ZKP ptafr A Other Foropafant small molecule 9ER
5ZTY cnr2 A Inactive N-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1h-pyrazole-3-carboxamide small molecule 9JU
6A93 5ht2a A Inactive Risperidone small molecule 8NU
6A94 5ht2a A Inactive Zotepine small molecule ZOT
6AK3 pe2r3 B Active Prostaglandin small molecule P2E
6AKX ccr5 B Inactive Chembl4238063 small molecule A4R
6AKY ccr5 A Inactive Chembl4249798 small molecule A4X
6AQF aa2ar A Inactive 139180-30-6 small molecule ZMA
6B73 oprk A Active Gtpl9759 small molecule CVV
6BQG 5ht2c A Active Ergotamine small molecule ERM
6D26 pd2r2 A Inactive Fevipiprant small molecule FSY
6D27 pd2r2 A Inactive Tm30089 small molecule FT4
6DRX 5ht2b A Intermediate Lisuride small molecule H8G
6DRY 5ht2b A Intermediate Methylergonovine small molecule H8D
6DRZ 5ht2b A Intermediate Methysergide small molecule H8J
6DS0 5ht2b A Intermediate Ly 266097 hydrochloride small molecule H8M
6E59 nk1r A Inactive Unii-4i4p4i2e8p small molecule L76
6FK6 opsd A Active COMPOUND small molecule DOK