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GLASS

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GPCR

Name	Prostaglandin D2 receptor 2
Species	Homo sapiens (Human)
Gene	PTGDR2
Synonym	CD294 prostaglandin D2 receptor 2 PGD2 receptor Gpr44 G-protein coupled receptor 44 G protein-coupled receptor 44 DP2 receptor CRTH2 Chemoattractant receptor-homologous molecule expressed on Th2 cells [ Show all ]
Disease	Asthma; Chronic obstructive pulmonary disease Asthma Allergy Allergic rhinitis Allergic asthma Respiratory disease [ Show all ]
Length	395
Amino acid sequence	MSANATLKPLCPILEQMSRLQSHSNTSIRYIDHAAVLLHGLASLLGLVENGVILFVVGCRMRQTVVTTWVLHLALSDLLASASLPFFTYFLAVGHSWELGTTFCKLHSSIFFLNMFASGFLLSAISLDRCLQVVRPVWAQNHRTVAAAHKVCLVLWALAVLNTVPYFVFRDTISRLDGRIMCYYNVLLLNPGPDRDATCNSRQVALAVSKFLLAFLVPLAIIASSHAAVSLRLQHRGRRRPGRFVRLVAAVVAAFALCWGPYHVFSLLEARAHANPGLRPLVWRGLPFVTSLAFFNSVANPVLYVLTCPDMLRKLRRSLRTVLESVLVDDSELGGAGSSRRRRTSSTARSASPLALCSRPEEPRGPARLLGWLLGSCAASPQTGPLNRALSSTSS
UniProt	Q9Y5Y4
Protein Data Bank	6d27, 6d26
GPCR-HGmod model	Q9Y5Y4
3D structure model	This structure is from PDB ID 6d27.
BioLiP	BL0428440, BL0428439
Therapeutic Target Database	T61722
ChEMBL	CHEMBL5071
IUPHAR	339
DrugBank	BE0003561

Ligand

Name	indomethacin
Molecular formula	C19H16ClNO4
IUPAC name	2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
Molecular weight	357.79
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.3
Synonyms	BIDD:GT0132 .alpha.-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid BPBio1_000160 1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure [German] C01926 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid D00141 2-{1-((4-chlorophenyl)carbonyl)-5-methoxy-2-methylindol-3-yl}acetic acid DSSTox_CID_740 503560-73-4 EU-0100692 AB00052022-21 HMS1568H06 ACT02579 HMS3262K05 ARONIS27005 HMS500N13 Pharmakon1600-01500350 Indomethacin & MAP-30 N-p-Chlorbenzoyl-5-methoxy-2-methylindole-3-acetic acid Reumacide Indomethacin, European Pharmacopoeia (EP) Reference Standard NCGC00015562-08 SBI-0050670.P004 Indomethancin HSDB 3101 Spectrum3_000468 Indonol IMN SR-01000000014-4 Inteban NCGC00015562-13 Indo-phlogont Tocris-1708 KBio2_003967 NCGC00015562-21 Indocid (TN) UPCMLD-DP023 KBioSS_000489 NCGC00024135-07 Indocin-SR [1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid L000959 NCGC00024135-15 Indomee MCULE-5636486088 Novo-Methacin Indometacina [INN-Spanish] Mikametan Bio2_000885 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid BRD-K57222227-001-27-7 1-(p-chlorobenzoyl)-2-methyl-5-methoxy-3-indoleacetic acid CCG-40186 1-p-chlorobenzoyl-2-methyl-5-methoxyindol-3-acetic acid Chrono-indicid 1z9h DB00328 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methylindol-3-yl}acetic acid DTXSID9020740 7681-54-1 (hydrochloride salt) FT-0603227 AB1009492 HMS1990I11 alpha-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid HMS3403I11 Artrinovo MLS006011845 Prestwick2_000272 Indomethacin [USAN:BAN] NCGC00015562-03 RTR-019032 Indomethacin, Pharmaceutical Secondary Standard; Certified Reference Material SMR000058195 Indomethine I0655 Spectrum_000919 Indorektal InChI=1/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) ST50320042 KB-74685 NCGC00015562-16 Indo-tablinen Tox21_201791 KBio3_000897 NCGC00015562-25 Indocin XXE1CET956 KS-000048I8 NCGC00024135-10 Indolar SR Lopac-I-7378 NCGC00261377-01 Indometacin (JP15/INN) Methazine NSC757061 Indometacinum BCP18951 (1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-yl)acetic acid Bonidon Gel 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid BSPBio_001149 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indol acetic acid CGIGDMFJXJATDK-UHFFFAOYSA-N 1-[p-Chlorobenzoyl]-5-methoxy-2-methylindole-3-acetic acid CS-2242 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid Dolcidium PL 4kyk EINECS 200-186-5 AB00052022 Hicin Aconip HMS2095H06 ANW-42683 HMS3655O04 Indometacyna [Polish] MolPort-000-917-894 PubChem17620 Indomethacin, >=99.0% (TLC) NCGC00015562-06 Sadoreum Indomethacine SPECTRUM1500350 Indomo Idomethine SR-01000000014-16 Infrocin NCGC00015562-11 Indmethacine Tannex KBio2_001399 NCGC00015562-19 Indocid TR-019032 KBioGR_000395 NCGC00024135-05 Indocin I.V. [1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid Kwas 1-(p-chlorobenzoilo)-2-metylo-5-metoksy-3-indolilooctowy NCGC00024135-13 Indomecol LS-187 NE11089 Indometacin [INN] MFCD00057095 Oprea1_686105 BIM-0050670.0001 1-(4-chloro-benzoyl)-5-methoxy-2-methyl-3-indolyl-acetic acid BRD-K57222227-001-06-1 1-(p-Chlorobenzoyl)-2-methoxy-3-methyl-1H-indole-3-acetic Acid CAS-53-86-1 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindol-3-acetic acid CHEMBL6 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl- D0R1RS 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2 methylindol-3-yl}acetic acid DSSTox_GSID_20740 53-86-1 FLAM AB00052022_23 HMS1792I11 AJ-23672 HMS3268A14 Arthrexin Prestwick0_000272 Indomethacin (Indocid, Indocin) NCGC00015562-01 Rhemacin LA Indomethacin, Indochron E-R, Indocin-SR, Indocid, Indocin, Indomethacin NCGC00015562-09 SC-17536 Indomethazine HY-14397 Spectrum4_000018 Indoptic IN1454 SR-01000000014-6 Inteban sp NCGC00015562-14 Indo-rectolmin Tox21_113109 KBio2_005625 NCGC00015562-22 Indocid Pda UPCMLD-DP023:001 KBioSS_001399 NCGC00024135-08 Indocin-SR (TN) {1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid Lausit NCGC00254075-01 Indomet 140 Metacen Novomethacin Indometacine MLS000069402 Bonidin 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid & MAP-30 BRN 0497341 1-(p-chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid CCRIS 3502 1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico Chrono-indocid 2-(1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid DivK1c_000271 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2methylindol-3-yl}acetic acid Durametacin 87377-08-0 GTPL1909 AC-532 HMS2089N19 Amuno HMS3430L03 Artrivia Mobilan Prestwick3_000272 Indomethacin [USAN:USP] NCGC00015562-04 S00108 Indomethacin, United States Pharmacopeia (USP) Reference Standard SPBio_000979 Indometicina IDI1_000271 SR-01000000014 Indoxen Indacin STL257874 KBio1_000271 NCGC00015562-17 Indochron E-R Tox21_300266 KBio3_000898 NCGC00024135-02 Indocin (TN) Z56784896 KS-5255 NCGC00024135-11 Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl- Lopac0_000692 NCI-C56144 Indometacin (JP17/INN) Metindol Nu-Indo Indometacinum [INN-Latin] BDBM17638 BP-30207 1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure BSPBio_002176 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid CHEBI:49662 CTK3J2195 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid Dolovin 5-22-05-00239 (Beilstein Handbook Reference) Elmetacin AB00052022-20 HMS1362I11 Aconip (TN) HMS2231J10 Apo-Indomethacin HMS3712H06 Osmosin N-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid Q-201239 Indomethacin, Antibiotic for Culture Media Use Only NCGC00015562-07 SBB057417 Indomethacinum Spectrum2_000970 Indomod Imbrilon SR-01000000014-2 Innamit NCGC00015562-12 Indo-Lemmon Tivorbex KBio2_003057 NCGC00015562-20 Indocid (pharmaceutical) UNII-XXE1CET956 KBioGR_000489 NCGC00024135-06 Indocin Sr [1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid # Kwas 1-(p-chlorobenzoilo)-2-metylo-5-metoksy-3-indolilooctowy [Polish] NCGC00024135-14 Indomed LS-82147 NINDS_000271 Indometacina Miametan Bio2_000405 1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid BRD-K57222227-001-18-6 1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indole-acetic acid Catlep 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid Chibro-amuno 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl- (9CI) 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1h-indol-3-yl}acetic acid DSSTox_RID_75763 74252-25-8 (hydrochloride salt, tri-hydrate) Flexin continus AB00052022_24 HMS1920F21 AKOS000592893 HMS3374F07 Artracin MLS001074194 Prestwick1_000272 Indomethacin (USP) NCGC00015562-02 Rheumacin LA Indomethacin, meets USP testing specifications NCGC00015562-10 SCHEMBL9300 Indomethegan I 7378 Spectrum5_000868 Indoptol Inacid ST24039048 J10170 NCGC00015562-15 Indo-Spray Tox21_113109_1 KBio2_006535 NCGC00015562-24 Indocid Sr Vonum KS-00000WRK NCGC00024135-09 Indocollyre Liometacen NCGC00259340-01 indometacin Metartril NSC-757061 Indometacine [INN-French] BC203259 Bonidon 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid BSPBio_000144 1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid CGIGDMFJXJATDK-UHFFFAOYSA- 1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico [Spanish] Confortid 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid Dolcidium 37242-43-6 EC 200-186-5 91853-74-6 H911 AC1L1GJQ HMS2091N09 AN-15738 HMS3649K17 MolMap_000032 Prestwick_597 Indomethacin, >=99% (TLC) NCGC00015562-05 s1723 Indomethacin,(S) SPBio_002363 Indometicina [Spanish] IDI1_002160 SR-01000000014-10 Inflazon Indameth SW196768-5 KBio2_000489 NCGC00015562-18 Indochron E-R (TN) Tox21_500692 KBio3_001396 NCGC00024135-04 Indocin I.V ZINC601283 KSC492C9L NCGC00024135-12 Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl- (8CI) LP00692 NCI60_041708 Indometacin 1.0 mg/ml in Acetonitrile Mezolin Opera_ID_56 Indometacyna [ Show all ]
Inchi Key	CGIGDMFJXJATDK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
PubChem CID	3715
ChEMBL	CHEMBL6
IUPHAR	1909
BindingDB	17638
DrugBank	DB00328
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
EC50	389.0 nM	PMID22224640	BindingDB,ChEMBL
Ki	19.9526 - 794.328 nM	PMID12466225, PMID16256979	IUPHAR
Ki	50.0 nM	PMID16190744	BindingDB,ChEMBL
Ki	8000.0 nM	PMID16190744	BindingDB,ChEMBL

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