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GLASS

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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	diazepam
Molecular formula	C16H13ClN2O
IUPAC name	7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Molecular weight	284.743
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.0
Synonyms	Gewacalm D-Pam 7-Chloro-1-methyl-5-phenyl-2-oxo-2,3-dihydro-1H-benzo[f]-1,4-diazepine Parzam Horizon Diacepan AB02310 Plumiaz Kabivitrum Diastat AN-23449 Q3JTX2Q7TU LA III Diazemulus Anxionil Renborin Lovium Diazepam Elmu Atilen Metamidol Diazepam Stada Dienpax Benzopin Mono (2-ethylhexyl) phthalate Diazepamu Doval BRN 0754371 1-Methyl-5-phenyl-7-chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one Nellium Dupin Calmpose Noan Eurosan Ceregulart 7-Chloro-1-methyl-5-3H-1,4-benzodiazepin-2(1H)-one NSC169897 Umbrium Valium Vazepam WY-3467 SAM001246536 Serenamin Sipam Stesolin Tranimul 7-chloro-1-methyl-5-phenyl-1,3-dihydro-[1,4]benzodiazepin-2-one Ortopsique GTPL3364 D0Y1YC 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Paxum I06-0194 Dialar AKOS003367969 Pro pam KBioGR_001012 Diastat, Valium Ansilive Quievita Lamra Diazepam (JP17/USP/INN) Apozepam Ro-52807 Mandro-Zep Diazepam Intensol Diazepamum [INN-Latin] BCP0726000176 Methyldiazepinone (pharmaceutical) Diazepam, European Pharmacopoeia (EP) Reference Standard Dipezona Bialzepam NCGC00178168-01 DSSTox_GSID_20406 C06948 2H-1, 7-chloro-1,3-dihydro-1-methyl-5-phenyl- neurolytr il e-Pam CC-26451 7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Novo-Dipam Faustan CHEMBL12 Usempax ap Valrelease Vivol ZINC6427 Sedapam Setonil Sonacon Tensium Tranquase CPD000058398 7-Chloro-1-methyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one Paralium HMS3393N04 Desconet A826456 Placidox 5 InChI=1/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H Diapine Alupram Q-pam Kratium 2 Diazem Antenex Relanium Liberetas Diazepam Dak Assival Medipam Diazepam solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material Diazepin BDBM50000766 MLS000759402 Diazepam-Lipuro Dizac BRD-K16508793-001-01-8 NCGC00178168-04 Ducene Calmociteno 439-14-5 Nivalen Eridan Centrazepam 7-chloro-1-methyl-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one NSC-169897 Frustan Tranquo-tablinen Valiquid Vatran WLN: T67 GNV JN IHJ CG G1 KR S.a. r.l. Seduxen Sico Relax Spectrum5_001890 Tox21_113071_1 Gihitan D00293 7-Chloro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one Paxate HSDB 3057 Diaceplex AC-10561 Pms-Diazepam KBio1_000967 Diastat (TN) An-Ding Quetinil LA-111 Apaurin Ro 5-2805 LS-122 Diazepam Fabra Azedipamin Methyl diazepinone Diazepam [USAN:INN:BAN:JAN] Dipam Best [Pharaceutical] Morosan Diazepamu [Polish] Drenian BSPBio_003279 1-Methyl-5-phenyl-7-chloro-1,4-benzodiazepin-2-one Nerozen Duxen CAS-439-14-5 53320-84-6 Notense Evacalm CHEBI:49575 7-Chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one NSC77518 UNII-Q3JTX2Q7TU Valium (TN) Velium ZB000640 Saromet Serenzin SMR000058398 STK735517 Trankinon 7-Chloro-1-methyl-5-phenyl-1,4-benzodiazepin-2-one Paceum Gubex DB00829 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one. Placidox 10 Iazepam Diapam Alboral Prozepam Kiatrium Diatran Ansiolin Radizepam Lembrol Diazepam 0.1 mg/ml in Methanol Armonil Ruhsitus Mandrozep Diazepam Nordic Diazepan BCP23002 Methyldiazepinone, pharmaceutical Diazepam, United States Pharmacopeia (USP) Reference Standard Disopam BIDD:GT0105 NCGC00178168-02 DSSTox_RID_75566 Calmaven 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl- Neurolytril EINECS 207-122-5 CCG-100997 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H -1,4-benzodiazepin-2-one Novodipam Faustan, Chuansuan Valaxona Valuzepam W-5055 Zipan Sedipam Sibazon Spectrum3_001780 Tensopam Tranquirit FT-0632135 CS-0653 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one Paranten HMS503A15 Desloneg AAOVKJBEBIDNHE-UHFFFAOYSA-N Plidan Jinpanfan Diaquel Amiprol Q-Pam Relanium LA 111 Diazemuls Anxicalm Reliver Lizan Diazepam Desitin Atensine Mentalium Diazepam solution, 1.0 mg/mL in methanol, analytical standard, for drug analysis Diazetard Bensedin MLS001424086 Diazepam-ratiopharm Domalium Britazepam (Z)-7-chloro-1-methyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one NCGC00260007-01 Duksen Calmod 5-24-04-00300 (Beilstein Handbook Reference) Nixtensyn Euphorin P Cercine 7-Chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine NSC-77518 Trazepam Valitran Vazen Wy 3467 S.A.R.L. Serenack Simasedan Stesolid Tox21_202458 Gradual D07JVL 7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2(1H)-one Paxel HY-17027 Dialag AC1L1EZE Pomin KBio3_002780 Diastat Acudial Anlin Quiatril La-Iii Diazepam (intranasal, epilepsy) Apo-diazepam Ro 5-2807 Mandro Diazepam for system suitability, European Pharmacopoeia (EP) Reference Standard Diazepamum Baogin Methyldiazepinone Diazepam [USAN:USP:INN:BAN:JAN] Dipaz Betapam NC00247 DSSTox_CID_406 C-17931 11100-37-1 Nervium DZP Caudel 7 -chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one Novazam Faustal 7-chloro-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one Oprea1_126223 Unisedil Valium R Vival Zepaxid SCHEMBL21442 Servizepam Solis T-quil Tranqdyn 7-chloro-1-methyl-5-phenyl-1H-1,4-benzodiazepine-2(3H)on Pacitran HMS2051N04 DEA No. 2765 A3662/0155188 Placidox 2 IDI1_000967 Diapax Aliseum Psychopax Kratium Diazapam Ansiolisina Relaminal Levium Diazepam 1.0 mg/ml in Methanol Arzepam MCULE-8990989144 Diazepam Rectubes Diazepan leo BCP9000199 Metil Gobanal Diazepam-Eurogenerics DivK1c_000967 BIDD:PXR0158 NCGC00178168-03 DTXSID4020406 Calmocitene NINDS_000967 Elcion CR CCRIS 6009 7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one NSC 169897 Freudal Condition Valeo Vanconin Winii S.A. R.L Seduksen Sibazone Spectrum4_000576 Tox21_113071 Tranquo-puren [ Show all ]
Inchi Key	AAOVKJBEBIDNHE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
PubChem CID	3016
ChEMBL	CHEMBL12
IUPHAR	3364
BindingDB	50000766
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	12.0 nM	PMID16250647	BindingDB,ChEMBL

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