Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Alpha-1A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1A
Synonym	alpha1a ADRA1C ADRA1L1 adrenergic alpha 1c receptor adrenergic receptor alpha 1c adrenergic receptor, alpha 1a alpha 1A-adrenoceptor alpha 1A-adrenoreceptor alpha1c alpha 1C-adrenergic receptor alpha-1A adrenergic receptor Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor Alpha-adrenergic receptor 1c alpha1A-adrenoceptor [ Show all ]
Disease	Urinary incontinence Benign prostatic hyperplasia Cognitive disorders Female sexual dysfunction Glaucoma Hypertension Major depressive disorder Pain Post-traumatic stress disorder Prostate cancer; Benign prostatic hyperplasia Prostate disease Prostate hyperplasia Stress urinary incontinence Unspecified [ Show all ]
Length	466
Amino acid sequence	MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
UniProt	P35348
Protein Data Bank	N/A
GPCR-HGmod model	P35348
3D structure model	This predicted structure model is from GPCR-EXP P35348.
BioLiP	N/A
Therapeutic Target Database	T92609
ChEMBL	CHEMBL229
IUPHAR	22
DrugBank	BE0000501

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	Diazem Trankinon Antenex Diazepam Dak UNII-Q3JTX2Q7TU Assival Diazepam solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material Valium (TN) BDBM50000766 Diazepam-Lipuro Velium BRD-K16508793-001-01-8 ZB000640 Calmociteno 439-14-5 Centrazepam Saromet 7-chloro-1-methyl-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one CPD000058398 Serenzin 7-Chloro-1-methyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one Desconet SMR000058398 A826456 Diapine STK735517 Alupram Novodipam Faustan, Paceum Gubex Placidox 10 Iazepam Prozepam Kiatrium Radizepam Lembrol Ruhsitus Mandrozep Diazepan Methyldiazepinone, pharmaceutical Disopam NCGC00178168-02 DSSTox_RID_75566 Neurolytril EINECS 207-122-5 An-Ding Tranquirit Apaurin Diazepam Fabra Valaxona Azedipamin Diazepam [USAN:INN:BAN:JAN] Valuzepam Best [Pharaceutical] Diazepamu [Polish] W-5055 BSPBio_003279 1-Methyl-5-phenyl-7-chloro-1,4-benzodiazepin-2-one Zipan CAS-439-14-5 53320-84-6 CHEBI:49575 Sedipam 7-Chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one D00293 Sibazon 7-Chloro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one Diaceplex Spectrum3_001780 AC-10561 Diastat (TN) Tensopam Euphorin P NSC-77518 FT-0632135 Paranten HMS503A15 Plidan Jinpanfan Q-Pam Relanium LA 111 Reliver Lizan Mentalium Diazetard MLS001424086 Domalium NCGC00260007-01 Duksen Nixtensyn Diatran Tox21_202458 Ansiolin Diazepam 0.1 mg/ml in Methanol Trazepam Armonil Diazepam Nordic Valitran BCP23002 Diazepam, United States Pharmacopeia (USP) Reference Standard Vazen BIDD:GT0105 Wy 3467 Calmaven 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl- CCG-100997 S.A.R.L. 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H -1,4-benzodiazepin-2-one Chuansuan Serenack 7-Chloro-1-methyl-5-phenyl-1,4-benzodiazepin-2-one DB00829 Simasedan 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one. Diapam Stesolid Alboral Novazam Faustal Oprea1_126223 Gradual Paxel HY-17027 Pomin KBio3_002780 Quiatril La-Iii Ro 5-2807 Mandro Diazepamum Methyldiazepinone Dipaz NC00247 DSSTox_CID_406 Nervium DZP Amiprol Diazemuls Tranqdyn Anxicalm Diazepam Desitin Unisedil Atensine Diazepam solution, 1.0 mg/mL in methanol, analytical standard, for drug analysis Valium R Bensedin Diazepam-ratiopharm Vival Britazepam (Z)-7-chloro-1-methyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one Zepaxid Calmod 5-24-04-00300 (Beilstein Handbook Reference) Cercine SCHEMBL21442 7-Chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine CS-0653 Servizepam 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one Desloneg Solis AAOVKJBEBIDNHE-UHFFFAOYSA-N Diaquel T-quil NSC 169897 Freudal Pacitran HMS2051N04 Placidox 2 IDI1_000967 Psychopax Kratium Relaminal Levium MCULE-8990989144 Diazepan leo Metil Gobanal DivK1c_000967 NCGC00178168-03 DTXSID4020406 NINDS_000967 Elcion CR Tox21_113071 Anlin Diazepam (intranasal, epilepsy) Tranquo-puren Apo-diazepam Diazepam for system suitability, European Pharmacopoeia (EP) Reference Standard Valeo Baogin Diazepam [USAN:USP:INN:BAN:JAN] Vanconin Betapam Winii C-17931 11100-37-1 Caudel S.A. R.L 7 -chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one Seduksen 7-chloro-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one D07JVL Sibazone 7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2(1H)-one Dialag Spectrum4_000576 AC1L1EZE Diastat Acudial Eurosan NSC169897 Gewacalm Parzam Horizon Plumiaz Kabivitrum Q3JTX2Q7TU LA III Renborin Lovium Metamidol Dienpax Mono (2-ethylhexyl) phthalate Doval Nellium Dupin Noan Diazapam Tranimul Ansiolisina Diazepam 1.0 mg/ml in Methanol Umbrium Arzepam Diazepam Rectubes Valium BCP9000199 Diazepam-Eurogenerics Vazepam BIDD:PXR0158 WY-3467 Calmocitene CCRIS 6009 SAM001246536 7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one Condition Serenamin 7-chloro-1-methyl-5-phenyl-1H-1,4-benzodiazepine-2(3H)on DEA No. 2765 Sipam A3662/0155188 Diapax Stesolin Aliseum Novo-Dipam Faustan Ortopsique GTPL3364 Paxum I06-0194 Pro pam KBioGR_001012 Quievita Lamra Ro-52807 Mandro-Zep Diazepamum [INN-Latin] Methyldiazepinone (pharmaceutical) Dipezona NCGC00178168-01 DSSTox_GSID_20406 neurolytr il e-Pam AN-23449 Diazemulus Tranquase Anxionil Diazepam Elmu Usempax ap Atilen Diazepam Stada Valrelease Benzopin Diazepamu Vivol BRN 0754371 1-Methyl-5-phenyl-7-chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one ZINC6427 Calmpose Ceregulart Sedapam 7-Chloro-1-methyl-5-3H-1,4-benzodiazepin-2(1H)-one D-Pam Setonil 7-Chloro-1-methyl-5-phenyl-2-oxo-2,3-dihydro-1H-benzo[f]-1,4-diazepine Diacepan Sonacon AB02310 Diastat Tensium Eridan NSC-169897 Frustan Paralium HMS3393N04 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 Q-pam Kratium 2 Relanium Liberetas Medipam Diazepin MLS000759402 Dizac NCGC00178168-04 Ducene Nivalen Diastat, Valium Tox21_113071_1 Ansilive Diazepam (JP17/USP/INN) Tranquo-tablinen Apozepam Diazepam Intensol Valiquid BCP0726000176 Diazepam, European Pharmacopoeia (EP) Reference Standard Vatran Bialzepam WLN: T67 GNV JN IHJ CG G1 KR C06948 2H-1, 7-chloro-1,3-dihydro-1-methyl-5-phenyl- CC-26451 S.a. r.l. 7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one CHEMBL12 Seduxen 7-chloro-1-methyl-5-phenyl-1,3-dihydro-[1,4]benzodiazepin-2-one D0Y1YC Sico Relax 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Dialar Spectrum5_001890 AKOS003367969 Evacalm NSC77518 Gihitan Paxate HSDB 3057 Pms-Diazepam KBio1_000967 Quetinil LA-111 Ro 5-2805 LS-122 Methyl diazepinone Dipam Morosan Drenian Nerozen Duxen Notense [ 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
Ki	85700.0 nM	PMID10565838	IUPHAR

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417