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GPCR

Name	Adenosine receptor A3
Species	Homo sapiens (Human)
Gene	ADORA3
Synonym	ARA3 Adenosine receptor A3 A3AR A3 receptor TGPCR1
Disease	Cerebrovascular ischaemia Malaria Ischemia Inflammation Hepatocellular carcinoma; Hepatitis C virus infection Glaucoma Cancer [ Show all ]
Length	318
Amino acid sequence	MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
UniProt	P0DMS8
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T36059
ChEMBL	CHEMBL256
IUPHAR	21
DrugBank	BE0000354

Ligand

Name	Retinoic acid
Molecular formula	C20H28O2
IUPAC name	(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
Molecular weight	300.442
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	6.3
Synonyms	9-cis-retinoic acid (9cRA) CAS-302-79-4 BIDD:GT0483 NCGC00017280-20 AB00052318-17 Cordes vas NCGC00021808-14 Aberela [Norway] Dermairol (4E,6E,8E)-9-(2,6,6-Trimethyl-1-cyclohexenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid NSC-759631 Acid, trans-Retinoic Epi-aberel 13497-05-7 (hydrochloride salt) Prestwick3_000257 AGN100335 HMS1921D14 2,4,6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)- Refissa all trans-Retinoic acid HMS3402K22 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2E,4E,6E,8E,-nonatetraenoic acid Retin-A (TN) all-trans-Retinoate IDI1_033970 33998-EP2295055A2 Retinoic acid, all-trans- (8CI) Altreno (0.05% lotion) Lopac0_001061 33998-EP2301928A1 S-1635 Avita (0.025% gel) MLS002548861 4759-48-2 BR-73126 BCPP000036 NCGC00017280-09 Spectrum5_001933 SR-01000000239-6 Tox21_110812 trans-Retinoic acid\|\|\|Retinoid analogues Tretinoin 0.1% cream or placebo Tretinoin, European Pharmacopoeia (EP) Reference Standard tretinoine (French) (EINECS) UNII-5688UTC01R Vitamin A acid, all-trans- SC-16932 [3H]Retinoic acid NCGC00017280-15 A-Acido (Argentina) CHEBI:15367 bmse000562 NCGC00021808-05 AB03039 CS-1269 (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid NCGC00259879-01 AC1Q1J2J DSSTox_RID_76031 (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate Opera_ID_1055 Acide retinoique (French) (DSL) GS-3578 1cbr Q-200610 AK-73126 HMS2092N11 2,6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)- Renova (TN) All-trans Retinoic Acid HSDB 2169 3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid all-trans-Retinoic acid, 97% Isotretinoin;(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid 33998-EP2295427A1 Retinova AT-RA MFCD00001551 33998-EP2308861A1 Avitoin NC00481 5914-EP2275412A1 BRD-K71879491-001-22-6 beta-all-trans-Retinoic acid [All-E]-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid SR-01000000239-13 ST2407905 Tox21_300305 tretinoin Tretinoin Sodium Salt Tretinoin/All-Trans Retinoic Acid Tretinoino [INN-Spanish] Vesanoid (TN) Salt, Tretinoin Sodium WLN: L6UTJ A1 B1U1Y1 & U2U1Y1 & U1VQ C1 C1 SHGAZHPCJJPHSC-YCNIQYBTSA-N BSPBio_001500 beta-Retinoic acid NCGC00017280-18 AB00052318-15 cid_444795 NCGC00021808-09 Aberela D0A8ND (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoic acid NSC 122758 Acid, beta-all-trans-Retinoic Effederm [France] .beta.-Retinoic acid Potassium Salt, Tretinoin ACT00012 HMS1568D16 2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)- R0064 AKOS000280845 HMS3259E11 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid Retin A (TN) all-trans-b-Retinoic acid I14-2351 RETINOIC ACID, ALL TRANS all-trans-Vitamin A1 acid L000833 33998-EP2298765A1 Ro 1-5488 Atragen MLS002207234 33998-EP2311829A1 BP-20401 BC202905 NCGC00017280-07 7005-78-9 SPECTRUM1502016 SR-01000000239-3 SW203749-4 trans-Retinoate Tretinoin (TN) Tretinoin [USAN:USP:INN:BAN] Tretinoine TRETINON Vesnaroid SBB065722 ZINC12358651 NCGC00017280-10 9-trans-retinoic acid CCG-39912 BIDD:PXR0081 NCGC00017280-23 AB00052318_18 Cordes VAS [Germany] (11Z)-retinoic acid NCGC00021808-15 AC-6824 DSSTox_CID_1239 (5E)-Retinoic acid NSC122758 Acid, Vitamin A EU-0101061 15-Apo-beta-caroten-15-oic acid Prestwick_424 Airol HMS1989K22 2,4,6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all trans)- Renova all-(E)-Retinoate HMS3712D16 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL) Retin-A Micro all-trans-Retinoic acid ISORETINOIN 33998-EP2295416A2 Retinoic acid, all-trans-(8CI) AN-9660 LP01061 33998-EP2305642A2 Avita (TN) MLS006010222 56573-65-0 BRD-K06926592-001-01-7 BDBM31883 [3H]tretinoin SR-01000000239 SR-01000000239-7 Tox21_110812_1 Trans-Retinoicacid tretinoin liposome Tretinoin, Pharmaceutical Secondary Standard; Certified Reference Material Tretinoine [INN-French] UPCMLD-DP097 s1653 Vitamin a acid, trans- SCHEMBL19091395 beta-Ra NCGC00017280-16 A-Vitaminsyre NCGC00021808-06 AB1009361 D00094 (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid NCGC00261746-01 Acid A Vit (Belgium, Netherlands) DTXSID7021239 (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid PDT-002-002 Acnavit GTPL2644 1n4h QCR-120 Aknefug HMS2095D16 3,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid Retacnyl All-trans Retinoic Acid (Tretinoin) HY-14649 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2E,4E,6E,8E-tetraenoic acid Retinoic acid all trans all-trans-Tretinoin J10054 33998-EP2298748A2 Retionic acid ATRA MLS000028588 33998-EP2311453A1 Avitoin [Norway] NCGC00017280-05 5914-EP2292576A2 BRN 2057223 SR-01000000239-14 Stieva-A Tox21_501061 Tretinoin (JAN/USP/INN) Tretinoin Zinc Salt Tretinoina Tretinoinum Vesanoid (TN) (Roche) Salt, Tretinoin Zinc WLN: L6UTJ A1 B1U1Y1&U2U1Y1&U1VQ C1 C1 SMR000058245 C00777 Betarretin NCGC00017280-19 AB00052318-16 cis-Retinoic acid NCGC00021808-11 Aberela (TN) (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid NSC-122758 Acid, Retinoic EINECS 206-129-0 02T794 Prestwick2_000257 AGN 100335 HMS1791K22 2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)--, (all trans)- REA All Trans Retinoic Acid HMS3263E04 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid-, (all trans)- Retin-A all-trans-beta-Retinoic acid IDI1_000903 33998-EP2275420A1 Retinoic acid, all-trans- Alltrans-retinoic acid LMPR01090019 33998-EP2298768A1 RP17637 Atralin MLS002222211 33998-EP2311840A1 BPBio1_000082 BCP01405 NCGC00017280-08 9-cis-RA Spectrum5_001746 SR-01000000239-4 TNP00194 trans-Retinoic acid Tretinoin - Retinoic Acid Tretinoin, all-trans- Tretinoine (French) Tri-Luma Vitamin A acid SBI-0051031.P003 [3H]RA NCGC00017280-12 97950-17-9 CCRIS 3294 BML2-E05 NCGC00021808-04 AB00052318_19 CPD000058245 (2E,4E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenoic acid NCGC00254179-01 AC1L9GWO DSSTox_GSID_21239 (9Z,13Z)-Retinoic acid NSC759631 acide retinoique (French) Eudyna 187175-63-9 PubChem16466 AJ-61307 HMS2089D20 2,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)- Renova (0.02% cream) all-(E)-Retinoic acid HMS502N05 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid Retinoate all-trans-retinoic acid (ATRA) Isotretinoin Retinoicacid 33998-EP2295426A1 Retinoic acid, cis- ARONIS25153 LS-1154 33998-EP2308833A2 Avita Gel MolPort-000-883-857 5688UTC01R BRD-K71879491-001-15-0 beta all trans Retinoic Acid [3H]Vitamin A acid SR-01000000239-12 ST057075 Tox21_202330 Tretin M Tretinoin Potassium Salt Tretinoin, United States Pharmacopeia (USP) Reference Standard Tretinoino Vesanoid Salt, Tretinoin Potassium Vitamin A1 acid, all-trans- SCHEMBL3145 BSPBio_000074 beta-Retinoate NCGC00017280-17 A-Vitaminsyre [Denmark] CHEMBL38 NCGC00021808-07 Aberel D02DGU (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetr aenoic acid Nexret Acid, all-trans-Retinoic Effederm .beta.-all-trans-Retinoic acid Pharmakon1600-01502016 Acnavit [Denmark] HMS1361K22 2,4, 6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6, 6-trimethyl-1-cyclohexen-1-yl)-, (2E, 4E, 6E, 8E)- R 2625 Aknoten HMS2236N03 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate Retin A all-trans-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic Acid I04-0008 302-79-4 Retinoic acid, >=98% (HPLC), powder all-trans-Vitamin A acid KB-66303 33998-EP2298764A1 Retisol-A ATRA; Tretinoin; Vitamin A acid; all-trans-Retinoic acid MLS001076515 33998-EP2311808A1 b-Retinoic acid NCGC00017280-06 6-s-trans-retinoic acid Sodium Salt, Tretinoin SR-01000000239-15 Stieva-A (TN) trans Retinoic Acid Tretinoin (Retinoic acid) Tretinoin [USAN:INN:BAN] Tretinoina [INN-Spanish] Tretinoinum [INN-Latin] Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Tretinoin SAM002264647 Zinc Salt, Tretinoin [ Show all ]
Inchi Key	SHGAZHPCJJPHSC-YCNIQYBTSA-N
Inchi ID	InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
PubChem CID	444795
ChEMBL	CHEMBL38
IUPHAR	N/A
BindingDB	31883
DrugBank	DB00755
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	5275.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	2982.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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