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GPCR

Name	Sphingosine 1-phosphate receptor 1
Species	Homo sapiens (Human)
Gene	S1PR1
Synonym	Sphingosine 1-phosphate receptor Edg-1 S1P1 receptor S1P1 S1P receptor Edg-1 S1P receptor 1 CD363 EDG1 (Edg1) endothelial differentiation G protein-coupled receptor 1 Endothelial differentiation G-protein coupled receptor 1 [ Show all ]
Disease	Immune disorder Macular degeneration Hepatocellular carcinoma; Multiple scierosis Multiple scierosis Primary progressive multiple sclerosis Cutaneous lupus erythematosus Psoriasis Cardiovascular disorder Cancer Autoimmune diabetes Advanced non-small cell lung cancer Acne vulgaris Rheumatoid arthritis Inflammatory disease [ Show all ]
Length	382
Amino acid sequence	MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS
UniProt	P21453
Protein Data Bank	3v2w
GPCR-HGmod model	P21453
3D structure model	This structure is from PDB ID 3v2w.
BioLiP	BL0214678
Therapeutic Target Database	T13852
ChEMBL	CHEMBL4333
IUPHAR	275
DrugBank	N/A

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	beta-Retinoate Vesanoid (TN) (Roche) A-Vitaminsyre [Denmark] Salt, Tretinoin Zinc WLN: L6UTJ A1 B1U1Y1&U2U1Y1&U1VQ C1 C1 Aberel SMR000058245 (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetr aenoic acid Acid, all-trans-Retinoic SR-01000000239-14 .beta.-all-trans-Retinoic acid Acnavit [Denmark] Stieva-A 2,4, 6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6, 6-trimethyl-1-cyclohexen-1-yl)-, (2E, 4E, 6E, 8E)- Aknoten Tox21_501061 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate all-trans-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic Acid Tretinoin (JAN/USP/INN) 302-79-4 all-trans-Vitamin A acid Tretinoin Zinc Salt 33998-EP2298764A1 ATRA; Tretinoin; Vitamin A acid; all-trans-Retinoic acid Tretinoina 33998-EP2311808A1 b-Retinoic acid Tretinoinum 6-s-trans-retinoic acid LMPR01090019 RP17637 MLS002222211 BPBio1_000082 NCGC00017280-08 C00777 NCGC00017280-19 cis-Retinoic acid NCGC00021808-11 NSC-122758 EINECS 206-129-0 Prestwick2_000257 HMS1791K22 REA HMS3263E04 Retin-A IDI1_000903 Retinoic acid, all-trans- Tri-Luma 9-cis-retinoic acid (9cRA) BIDD:GT0483 Vitamin A acid AB00052318-17 SBI-0051031.P003 [3H]RA Aberela [Norway] Spectrum5_001746 (4E,6E,8E)-9-(2,6,6-Trimethyl-1-cyclohexenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid Acid, trans-Retinoic SR-01000000239-4 13497-05-7 (hydrochloride salt) AGN100335 TNP00194 2,4,6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)- all trans-Retinoic acid trans-Retinoic acid 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2E,4E,6E,8E,-nonatetraenoic acid all-trans-Retinoate Tretinoin - Retinoic Acid 33998-EP2295055A2 Altreno (0.05% lotion) Tretinoin, all-trans- 33998-EP2301928A1 Avita (0.025% gel) Tretinoine (French) 4759-48-2 BCPP000036 LS-1154 MolPort-000-883-857 BRD-K71879491-001-15-0 NCGC00017280-12 CCRIS 3294 NCGC00021808-04 CPD000058245 NCGC00254179-01 DSSTox_GSID_21239 NSC759631 Eudyna PubChem16466 HMS2089D20 Renova (0.02% cream) HMS502N05 Retinoate Isotretinoin Retinoicacid Retinoic acid, cis- beta-all-trans-Retinoic acid Vesanoid A-Acido (Argentina) Salt, Tretinoin Potassium bmse000562 Vitamin A1 acid, all-trans- AB03039 SCHEMBL3145 (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid [3H]Vitamin A acid AC1Q1J2J SR-01000000239-12 (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate Acide retinoique (French) (DSL) ST057075 1cbr AK-73126 Tox21_202330 2,6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)- All-trans Retinoic Acid Tretin M 3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid all-trans-Retinoic acid, 97% Tretinoin Potassium Salt 33998-EP2295427A1 AT-RA Tretinoin, United States Pharmacopeia (USP) Reference Standard 33998-EP2308861A1 Avitoin Tretinoino 5914-EP2275412A1 Retisol-A MLS001076515 NCGC00017280-06 BSPBio_000074 NCGC00017280-17 CHEMBL38 NCGC00021808-07 D02DGU Nexret Effederm Pharmakon1600-01502016 HMS1361K22 R 2625 HMS2236N03 Retin A I04-0008 Retinoic acid, >=98% (HPLC), powder KB-66303 7005-78-9 beta-Retinoic acid Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Tretinoin AB00052318-15 SAM002264647 Zinc Salt, Tretinoin Aberela Sodium Salt, Tretinoin (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoic acid Acid, beta-all-trans-Retinoic SR-01000000239-15 .beta.-Retinoic acid ACT00012 Stieva-A (TN) 2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)- AKOS000280845 trans Retinoic Acid 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid all-trans-b-Retinoic acid Tretinoin (Retinoic acid) all-trans-Vitamin A1 acid Tretinoin [USAN:INN:BAN] 33998-EP2298765A1 Atragen Tretinoina [INN-Spanish] 33998-EP2311829A1 BC202905 Tretinoinum [INN-Latin] Lopac0_001061 S-1635 MLS002548861 BR-73126 NCGC00017280-09 CAS-302-79-4 NCGC00017280-20 Cordes vas NCGC00021808-14 Dermairol NSC-759631 Epi-aberel Prestwick3_000257 HMS1921D14 Refissa HMS3402K22 Retin-A (TN) IDI1_033970 Retinoic acid, all-trans- (8CI) UNII-5688UTC01R 9-trans-retinoic acid BIDD:PXR0081 Vitamin A acid, all-trans- AB00052318_18 SC-16932 (11Z)-retinoic acid [3H]Retinoic acid AC-6824 Spectrum5_001933 (5E)-Retinoic acid Acid, Vitamin A SR-01000000239-6 15-Apo-beta-caroten-15-oic acid Airol Tox21_110812 2,4,6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all trans)- all-(E)-Retinoate trans-Retinoic acid\|\|\|Retinoid analogues 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL) all-trans-Retinoic acid Tretinoin 0.1% cream or placebo 33998-EP2295416A2 AN-9660 Tretinoin, European Pharmacopoeia (EP) Reference Standard 33998-EP2305642A2 Avita (TN) tretinoine (French) (EINECS) 56573-65-0 BDBM31883 Retinova MFCD00001551 NC00481 BRD-K71879491-001-22-6 NCGC00017280-15 CHEBI:15367 NCGC00021808-05 CS-1269 NCGC00259879-01 DSSTox_RID_76031 Opera_ID_1055 GS-3578 Q-200610 HMS2092N11 Renova (TN) HSDB 2169 Isotretinoin;(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid beta-Ra Vesanoid (TN) A-Vitaminsyre Salt, Tretinoin Sodium WLN: L6UTJ A1 B1U1Y1 & U2U1Y1 & U1VQ C1 C1 AB1009361 SHGAZHPCJJPHSC-YCNIQYBTSA-N (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid [All-E]-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid Acid A Vit (Belgium, Netherlands) SR-01000000239-13 (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid Acnavit ST2407905 1n4h Aknefug Tox21_300305 3,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid All-trans Retinoic Acid (Tretinoin) tretinoin 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2E,4E,6E,8E-tetraenoic acid all-trans-Tretinoin Tretinoin Sodium Salt 33998-EP2298748A2 ATRA Tretinoin/All-Trans Retinoic Acid 33998-EP2311453A1 Avitoin [Norway] Tretinoino [INN-Spanish] 5914-EP2292576A2 Ro 1-5488 MLS002207234 BP-20401 NCGC00017280-07 BSPBio_001500 NCGC00017280-18 cid_444795 NCGC00021808-09 D0A8ND NSC 122758 Effederm [France] Potassium Salt, Tretinoin HMS1568D16 R0064 HMS3259E11 Retin A (TN) I14-2351 RETINOIC ACID, ALL TRANS L000833 9-cis-RA Betarretin Vesnaroid AB00052318-16 SBB065722 ZINC12358651 Aberela (TN) SPECTRUM1502016 (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid Acid, Retinoic SR-01000000239-3 02T794 AGN 100335 SW203749-4 2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)--, (all trans)- All Trans Retinoic Acid trans-Retinoate 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid-, (all trans)- all-trans-beta-Retinoic acid Tretinoin (TN) 33998-EP2275420A1 Alltrans-retinoic acid Tretinoin [USAN:USP:INN:BAN] 33998-EP2298768A1 Atralin Tretinoine 33998-EP2311840A1 BCP01405 TRETINON LP01061 MLS006010222 BRD-K06926592-001-01-7 NCGC00017280-10 CCG-39912 NCGC00017280-23 Cordes VAS [Germany] NCGC00021808-15 DSSTox_CID_1239 NSC122758 EU-0101061 Prestwick_424 HMS1989K22 Renova HMS3712D16 Retin-A Micro ISORETINOIN Retinoic acid, all-trans-(8CI) beta all trans Retinoic Acid UPCMLD-DP097 97950-17-9 s1653 BML2-E05 Vitamin a acid, trans- AB00052318_19 SCHEMBL19091395 (2E,4E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenoic acid [3H]tretinoin AC1L9GWO SR-01000000239 (9Z,13Z)-Retinoic acid acide retinoique (French) SR-01000000239-7 187175-63-9 AJ-61307 Tox21_110812_1 2,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)- all-(E)-Retinoic acid Trans-Retinoicacid 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid all-trans-retinoic acid (ATRA) tretinoin liposome 33998-EP2295426A1 ARONIS25153 Tretinoin, Pharmaceutical Secondary Standard; Certified Reference Material 33998-EP2308833A2 Avita Gel Tretinoine [INN-French] 5688UTC01R Retionic acid MLS000028588 NCGC00017280-05 BRN 2057223 NCGC00017280-16 NCGC00021808-06 D00094 NCGC00261746-01 DTXSID7021239 PDT-002-002 GTPL2644 QCR-120 HMS2095D16 Retacnyl HY-14649 Retinoic acid all trans J10054 [ 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
EC50	<95100.0 nM	N/A	BindingDB
EC50	25400.0 nM	N/A	BindingDB
EC50	34120.0 nM	N/A	BindingDB

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