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GPCR

Name	Cannabinoid receptor 1
Species	Homo sapiens (Human)
Gene	CNR1
Synonym	CB1 Central cannabinoid receptor SKR6R THC receptor CB1R CANN6 CB1 receptor Neuronal cannabinoid receptor Cann7 CB-R [ Show all ]
Disease	Obesity; Diabetes Chemotherapy-induced nausea Diabetes; Obesity Drug abuse Hypertension; Diabetes; Obesity Insomnia Ischemia Lipid metabolism disorder Metabolic disorders Obesity Type 2 diabetes Schizophrenia Psychotic disorders Postherpetic neuralgia Ovarian cancer Obesity; Metabolic disorders Nicotine dependence; Obesity Neuropathic pain Cerebrovascular ischaemia Central nervous system disease Pain Anorexia Endocrine disease [ Show all ]
Length	472
Amino acid sequence	MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProt	P21554
Protein Data Bank	5tjv, 5u09, 5xr8, 5xra, 6n4b, 5tgz
GPCR-HGmod model	P21554
3D structure model	This structure is from PDB ID 5tjv.
BioLiP	BL0384680, BL0364157, BL0384679, BL0384681, BL0384682, BL0384683, BL0384684, BL0440253, BL0440254,BL0440255, BL0363267, BL0361447, BL0361446
Therapeutic Target Database	T76685
ChEMBL	CHEMBL218
IUPHAR	56
DrugBank	BE0000061

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	ACT02579 NCGC00024135-04 HMS3262K05 ZINC601283 ARONIS27005 NCGC00024135-12 HMS500N13 BIDD:GT0132 NCI60_041708 .alpha.-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid BPBio1_000160 Opera_ID_56 1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure [German] C01926 Prestwick_597 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid s1723 D00141 SPBio_002363 2-{1-((4-chlorophenyl)carbonyl)-5-methoxy-2-methylindol-3-yl}acetic acid DSSTox_CID_740 SR-01000000014-10 503560-73-4 EU-0100692 SW196768-5 AB00052022-21 NCGC00015562-18 HMS1568H06 Tox21_500692 Inflazon Indameth KBio2_000489 Indochron E-R (TN) KBio3_001396 Indocin I.V KSC492C9L Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl- (8CI) LP00692 Indometacin 1.0 mg/ml in Acetonitrile Mezolin Indometacyna MolMap_000032 Indomethacin, >=99% (TLC) NCGC00015562-05 Indomethacin,(S) Indometicina [Spanish] IDI1_002160 HMS1990I11 UPCMLD-DP023 alpha-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid NCGC00024135-07 HMS3403I11 [1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid Artrinovo NCGC00024135-15 Bio2_000885 Novo-Methacin 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid BRD-K57222227-001-27-7 Pharmakon1600-01500350 1-(p-chlorobenzoyl)-2-methyl-5-methoxy-3-indoleacetic acid CCG-40186 Reumacide 1-p-chlorobenzoyl-2-methyl-5-methoxyindol-3-acetic acid Chrono-indicid SBI-0050670.P004 1z9h DB00328 Spectrum3_000468 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methylindol-3-yl}acetic acid DTXSID9020740 SR-01000000014-4 7681-54-1 (hydrochloride salt) NCGC00015562-13 FT-0603227 Tocris-1708 AB1009492 NCGC00015562-21 IMN Inteban Indo-phlogont KBio2_003967 Indocid (TN) KBioSS_000489 Indocin-SR L000959 Indomee MCULE-5636486088 Indometacina [INN-Spanish] Mikametan Indomethacin & MAP-30 N-p-Chlorbenzoyl-5-methoxy-2-methylindole-3-acetic acid Indomethacin, European Pharmacopoeia (EP) Reference Standard NCGC00015562-08 Indomethancin HSDB 3101 Indonol NCGC00015562-25 HMS2095H06 XXE1CET956 ANW-42683 NCGC00024135-10 HMS3655O04 BCP18951 NCGC00261377-01 (1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-yl)acetic acid Bonidon Gel NSC757061 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid BSPBio_001149 Prestwick2_000272 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indol acetic acid CGIGDMFJXJATDK-UHFFFAOYSA-N RTR-019032 1-[p-Chlorobenzoyl]-5-methoxy-2-methylindole-3-acetic acid CS-2242 SMR000058195 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid Dolcidium PL Spectrum_000919 4kyk EINECS 200-186-5 ST50320042 AB00052022 NCGC00015562-16 Hicin Tox21_201791 Aconip 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) KB-74685 Indo-tablinen KBio3_000897 Indocin KS-000048I8 Indolar SR Lopac-I-7378 Indometacin (JP15/INN) Methazine Indometacinum MLS006011845 Indomethacin [USAN:BAN] NCGC00015562-03 Indomethacin, Pharmaceutical Secondary Standard; Certified Reference Material Indomethine I0655 TR-019032 AJ-23672 NCGC00024135-05 HMS3268A14 [1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid Arthrexin NCGC00024135-13 BIM-0050670.0001 NE11089 1-(4-chloro-benzoyl)-5-methoxy-2-methyl-3-indolyl-acetic acid BRD-K57222227-001-06-1 Oprea1_686105 1-(p-Chlorobenzoyl)-2-methoxy-3-methyl-1H-indole-3-acetic Acid CAS-53-86-1 PubChem17620 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindol-3-acetic acid CHEMBL6 Sadoreum 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl- D0R1RS SPECTRUM1500350 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2 methylindol-3-yl}acetic acid DSSTox_GSID_20740 SR-01000000014-16 53-86-1 NCGC00015562-11 FLAM Tannex AB00052022_23 NCGC00015562-19 HMS1792I11 Infrocin Indmethacine KBio2_001399 Indocid KBioGR_000395 Indocin I.V. Kwas 1-(p-chlorobenzoilo)-2-metylo-5-metoksy-3-indolilooctowy Indomecol LS-187 Indometacin [INN] MFCD00057095 Indometacyna [Polish] MolPort-000-917-894 Indomethacin, >=99.0% (TLC) NCGC00015562-06 Indomethacine Indomo Idomethine HMS2089N19 UPCMLD-DP023:001 Amuno NCGC00024135-08 HMS3430L03 {1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid Artrivia NCGC00254075-01 Bonidin Novomethacin 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid & MAP-30 BRN 0497341 Prestwick0_000272 1-(p-chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid CCRIS 3502 Rhemacin LA 1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico Chrono-indocid SC-17536 2-(1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid DivK1c_000271 Spectrum4_000018 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2methylindol-3-yl}acetic acid Durametacin SR-01000000014-6 87377-08-0 NCGC00015562-14 GTPL1909 Tox21_113109 AC-532 NCGC00015562-22 IN1454 Inteban sp Indo-rectolmin KBio2_005625 Indocid Pda KBioSS_001399 Indocin-SR (TN) Lausit Indomet 140 Metacen Indometacine MLS000069402 Indomethacin (Indocid, Indocin) NCGC00015562-01 Indomethacin, Indochron E-R, Indocin-SR, Indocid, Indocin, Indomethacin NCGC00015562-09 Indomethazine HY-14397 Indoptic Aconip (TN) NCGC00024135-02 HMS2231J10 Z56784896 Apo-Indomethacin NCGC00024135-11 HMS3712H06 BDBM17638 NCI-C56144 BP-30207 Nu-Indo 1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure BSPBio_002176 Prestwick3_000272 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid CHEBI:49662 S00108 CTK3J2195 SPBio_000979 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid Dolovin SR-01000000014 5-22-05-00239 (Beilstein Handbook Reference) Elmetacin STL257874 AB00052022-20 NCGC00015562-17 HMS1362I11 Tox21_300266 Indoxen Indacin KBio1_000271 Indochron E-R KBio3_000898 Indocin (TN) KS-5255 Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl- Lopac0_000692 Indometacin (JP17/INN) Metindol Indometacinum [INN-Latin] Mobilan Indomethacin [USAN:USP] NCGC00015562-04 Indomethacin, United States Pharmacopeia (USP) Reference Standard Indometicina IDI1_000271 UNII-XXE1CET956 AKOS000592893 NCGC00024135-06 HMS3374F07 [1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid # Artracin NCGC00024135-14 Bio2_000405 NINDS_000271 1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid BRD-K57222227-001-18-6 Osmosin 1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indole-acetic acid Catlep Q-201239 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid Chibro-amuno SBB057417 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl- (9CI) Spectrum2_000970 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1h-indol-3-yl}acetic acid DSSTox_RID_75763 SR-01000000014-2 74252-25-8 (hydrochloride salt, tri-hydrate) NCGC00015562-12 Flexin continus Tivorbex AB00052022_24 NCGC00015562-20 HMS1920F21 Imbrilon Innamit Indo-Lemmon KBio2_003057 Indocid (pharmaceutical) KBioGR_000489 Indocin Sr Kwas 1-(p-chlorobenzoilo)-2-metylo-5-metoksy-3-indolilooctowy [Polish] Indomed LS-82147 Indometacina Miametan N-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid Indomethacin, Antibiotic for Culture Media Use Only NCGC00015562-07 Indomethacinum Indomod NCGC00015562-24 HMS2091N09 Vonum AN-15738 NCGC00024135-09 HMS3649K17 BC203259 NCGC00259340-01 Bonidon NSC-757061 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid BSPBio_000144 Prestwick1_000272 1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid CGIGDMFJXJATDK-UHFFFAOYSA- Rheumacin LA 1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico [Spanish] Confortid SCHEMBL9300 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid Dolcidium Spectrum5_000868 37242-43-6 EC 200-186-5 ST24039048 91853-74-6 NCGC00015562-15 H911 Tox21_113109_1 AC1L1GJQ Inacid J10170 Indo-Spray KBio2_006535 Indocid Sr KS-00000WRK Indocollyre Liometacen indometacin Metartril Indometacine [INN-French] MLS001074194 Indomethacin (USP) NCGC00015562-02 Indomethacin, meets USP testing specifications NCGC00015562-10 Indomethegan I 7378 Indoptol [ 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
Ki	<20000.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:19:2263	BindingDB,ChEMBL

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