CADD

Complexes Database

Receptor-Small molecule complexes studied in GPCR-IFP.


PDB code Receptor Chain Receptor state Ligand Type Ligand Code
opsd A Inactive Retinal small molecule RET
opsd B Inactive Retinal small molecule RET
adrb1 B Inactive (S)-Cyanopindolol small molecule P32
opsd A Active Retinal small molecule RET
adrb1 B Inactive Dobutamine small molecule Y00
adrb1 A Inactive Dobutamine small molecule Y00
adrb1 B Inactive Carmoterol small molecule WHJ
adrb1 B Inactive Isoproterenol small molecule 5FW
adrb1 B Inactive Salbutamol small molecule 68H
adrb1 A Inactive Carazolol small molecule CAU
adrb1 A Inactive (S)-Cyanopindolol small molecule P32
adrb1 A Inactive (S)-Cyanopindolol small molecule P32
aa2ar A Active Neca small molecule NEC
opsd B Inactive Retinal small molecule RET
aa2ar A Inactive 139180-30-6 small molecule ZMA
adrb2 A Inactive (s)-alprenolol small molecule JTZ
cxcr4 A Inactive It1t small molecule ITD
cxcr4 A Inactive It1t small molecule ITD
cxcr4 A Inactive It1t small molecule ITD
cxcr4 A Inactive It1t small molecule ITD
adrb2 A Active Bi-167107 small molecule P0G
drd3 A Inactive Eticlopride small molecule ETQ
adrb2 A Inactive Fauc50 small molecule ERC
opsd A Active Retinal small molecule RET
aa2ar A Inactive 139180-30-6 small molecule ZMA
opsd A Active Retinal small molecule RET
aa2ar A Active 380221-63-6 small molecule UKA
aa2ar A Inactive Xanthine small molecule XAC
hrh1 A Inactive Doxepin small molecule 5EH
adrb2 R Active Bi-167107 small molecule P0G
acm2 A Inactive 3-quinuclidinyl benzilate small molecule QNB
aa2ar A Inactive Compound 4g [pmid: 22220592] small molecule T4G
aa2ar A Inactive 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol small molecule T4E
s1pr1 A Inactive (R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic small molecule ML5
s1pr1 A Inactive (R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic small molecule ML5
aa2ar A Inactive 139180-30-6 small molecule ZMA
aa2ar A Inactive 139180-30-6 small molecule ZMA
par1 A Intermediate Vorapaxar small molecule VPX
adrb1 B Inactive 4-(1-piperazinyl)-1h-indole small molecule XF5
adrb1 B Inactive 4-methyl-2-piperazin-1-yl-quinoline small molecule 3WC
opsd A Active Retinal small molecule RET
adrb1 A Inactive Bucindolol small molecule G90
adrb1 A Inactive (S)-Cyanopindolol small molecule P32
acm3 A Inactive Tiotropium small molecule 0HK
oprk A Inactive Jdtic small molecule JDC
oprx A Inactive 475150-69-7 small molecule 0NN
aa2ar A Inactive 139180-30-6 small molecule ZMA
oprd A Inactive Naltrindole small molecule EJ4
5ht1b A Inactive Dihydroergotamine small molecule 2GM
5ht1b A Inactive Ergotamine small molecule ERM
5ht2b A Intermediate Ergotamine small molecule ERM
adrb2 A Active Bi-167107 small molecule P0G
adrb2 A Active Hydroxybenzylisoproterenol small molecule XQC
adrb2 A Active Epinephrine small molecule ALE
ccr5 A Inactive Maraviroc small molecule MRV
acm2 A Active Chembl3121473 small molecule IXO
oprd A Inactive Naltrindole small molecule EJ4
5ht2b A Intermediate Ergotamine small molecule ERM
p2y12 A Intermediate Azd1283 small molecule AZJ
ffar1 A Intermediate Fasiglifam small molecule 2YB
p2y12 A Intermediate 2-mesadp small molecule 6AD
p2y12 A Intermediate 5310983 small molecule 6AT
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
ox2r A Inactive Suvorexant small molecule SUV
acm3 B Inactive Tiotropium small molecule 0HK
aa2ar A Active Cgs 21680 small molecule NGI
aa2ar A Active Cgs 21680 small molecule NGI
opsd A Inactive Retinal small molecule RET
p2ry1 A Intermediate Mrs2500 small molecule 2ID
agtr1 A Inactive Zd 7155 hydrochloride small molecule ZD7
lpar1 A Inactive Ono-9780307 small molecule ON7
lpar1 A Inactive Ono-9910539 small molecule ON9
lpar1 A Inactive Ono-3080573 small molecule ON3
ox1r A Inactive Suvorexant small molecule SUV
ox1r A Inactive Sb-674042 small molecule 4OT
acm1 A Inactive Tiotropium small molecule 0HK
oprx A Inactive C-35 small molecule DGV
oprx A Inactive Sb-612111 small molecule DGW
acm4 B Inactive Tiotropium small molecule 0HK
opsd A Active Retinal small molecule RET
opsd A Active Retinal small molecule RET
adrb1 A Inactive (S)-Cyanopindolol small molecule P32
aa2ar A Active Neca small molecule NEC
aa2ar A Inactive 139180-30-6 small molecule ZMA
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
aa2ar A Inactive Chembl3934661 small molecule 6DZ
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
aa2ar A Inactive Chembl184061 small molecule 6DV
aa2ar A Inactive 139180-30-6 small molecule ZMA
aa2ar A Inactive 139180-30-6 small molecule ZMA
aa2ar A Inactive 139180-30-6 small molecule ZMA
aa2ar A Inactive 139180-30-6 small molecule ZMA
aa2ar A Inactive 139180-30-6 small molecule ZMA
aa2ar A Inactive Theophylline small molecule TEP
aa2ar A Inactive Caffeine small molecule CFF
aa2ar A Inactive Psb 36 small molecule 8JN
par2 A Intermediate Chembl4127372 small molecule 8TZ
aa2ar A Inactive 139180-30-6 small molecule ZMA
aa2ar A Inactive 139180-30-6 small molecule ZMA
aa2ar A Inactive 139180-30-6 small molecule ZMA
c5ar1 A Inactive Ndt small molecule 9P2
aa2ar A Inactive 139180-30-6 small molecule ZMA
aa2ar A Inactive Vipadenant small molecule 9XT
aa2ar A Inactive Tozadenant small molecule 9XW
aa2ar A Inactive 851202-49-8 small molecule 9Y2
aa2ar A Inactive 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol small molecule T4E
aa2ar A Inactive 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol small molecule T4E
aa2ar A Inactive 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol small molecule T4E
cnr1 A Inactive Am6538 small molecule ZDG
5ht2b D Active Ergotamine small molecule ERM
5ht2b A Intermediate Lysergide small molecule 7LD
ffar1 A Intermediate Mk-8666 small molecule MK6
aa1r B Inactive Du172 small molecule DU1
aa2ar A Inactive 5-amino-n-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2h-1,2,3-triazole-4-carboximidamide small molecule 8D1
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
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
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
aa2ar A Inactive 139180-30-6 small molecule ZMA
aa2ar A Inactive 139180-30-6 small molecule ZMA
aa2ar A Active 380221-63-6 small molecule UKA
aa2ar A Active 380221-63-6 small molecule UKA
drd4 A Inactive Nemonapride small molecule AQD
drd4 A Inactive Nemonapride small molecule AQD
ox2r A Inactive Empa small molecule 7MA
ox2r A Inactive Empa small molecule 7MA
ednrb A Inactive K-8794 small molecule K87
cnr1 A Active 8D0 small molecule 8D0
cnr1 A Active Chembl1683648 small molecule 8D3
acm2 A Inactive Methscopolamine small molecule 3C0
pe2r4 A Inactive Ono-ae3-208 small molecule 7UR
npy1r A Inactive Bms-193885 small molecule 9AF
npy1r A Inactive UR-MK299 small molecule 9AO
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
acm2 A Inactive 3-quinuclidinyl benzilate small molecule QNB
acm2 A Inactive Methscopolamine small molecule 3C0
acm2 A Inactive AF-DX small molecule 82F
acm2 A Inactive Methscopolamine small molecule 3C0
ptafr A Other Foropafant small molecule 9ER
cnr2 A Inactive N-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1h-pyrazole-3-carboxamide small molecule 9JU
5ht2a A Inactive Risperidone small molecule 8NU
5ht2a A Inactive Zotepine small molecule ZOT
pe2r3 B Active Prostaglandin small molecule P2E
ccr5 B Inactive Chembl4238063 small molecule A4R
ccr5 A Inactive Chembl4249798 small molecule A4X
aa2ar A Inactive 139180-30-6 small molecule ZMA
oprk A Active Gtpl9759 small molecule CVV
5ht2c A Active Ergotamine small molecule ERM
pd2r2 A Inactive Fevipiprant small molecule FSY
pd2r2 A Inactive Tm30089 small molecule FT4
5ht2b A Intermediate Lisuride small molecule H8G
5ht2b A Intermediate Methylergonovine small molecule H8D
5ht2b A Intermediate Methysergide small molecule H8J
5ht2b A Intermediate Ly 266097 hydrochloride small molecule H8M
nk1r A Inactive Unii-4i4p4i2e8p small molecule L76
opsd A Active COMPOUND small molecule DOK