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GLASS

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

Name	Cholecystokinin receptor type A
Species	Cavia porcellus (Guinea pig)
Gene	CCKAR
Synonym	CCK-A receptor CCK-AR CCK1-R Cholecystokinin-1 receptor
Disease	N/A for non-human GPCRs
Length	430
Amino acid sequence	MDVVDSLFVNGSNITSACELGFENETLFCLDRPRPSKEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPSLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTGNMCRFLLPNDVMQQTWHTFLLLILFLIPGIVMMVAYGLISLELYQGIKFDAIQKKSAKERKTSTGSSGPMEDSDGCYLQKSRHPRKLELRQLSPSSSGSNRINRIRSSSSTANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAERHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGTPGVRGEMGEEEEGRTTGASLSRYSYSHMSTSAPPP
UniProt	Q63931
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3501
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	flunitrazepam
Molecular formula	C16H12FN3O3
IUPAC name	5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one
Molecular weight	313.288
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.1
Synonyms	Flunitrazepamum [INN-Latin] Hexal Brand of Flunitrazepam 1-Methyl-7-nitro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2(1H)-one KBio1_000981 5-(2-Fluorophenyl)-1-methyl-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one # NINDS_000981 620X0222FQ Ro-54200 betapharm Brand of Flunitrazepam SCHEMBL44169 CTK6I1441 W-107962 EINECS 216-597-8 Flunitrazepam (JP15/USAN/INN) Flunitrazepam Teva Flunitrazepam-13C6, 100 mug/mL in methanol, certified reference material fluni\|A HSDB 6960 MLS003899224 5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H-1,4-benzodiazepin-2-one PPTYJKAXVCCBDU-UHFFFAOYSA-N AC1L1FSZ Rohipnol CHEBI:31622 SMR000058981 Darkene (TN) [3H]Rohypnol Flunimerck Flunitrazepam 1.0 mg/ml in Methanol Flunitrazepam-Teva GTPL4193 1,3-dihydro-5-(2-fluorophenyl)-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one Ilman(TN) 5-(2-fluorophenyl)-1,3-dihydro-1-methyl-7-nitro-2h-1,4-benzodiazepin-2-one neuraxpharm Brand of Flunitrazepam 5-(o-Fluorophenyl)-1,3-dihydro-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one Ro 5-4200 ANW-71935 Roipnol ct Arzneimittel Brand of Flunitrazepam UNII-620X0222FQ DivK1c_000981 Flunipam (TN) Flunitrazepam solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material Flunitrazepan Hipnosedon (TN) 1622-62-4 LS-34296 5-(2-Fluorophenyl)-1-methyl-7-nitro-1,3-dihydrobenzo[e][1,4]diazepin-2-one NSC-708829 622F624 RO54200 BRN 0702691 Silece D01230 ZINC3812994 Fluni 1A Pharma Flunitrazepam (JP17/USAN/INN) Flunitrazepam [USAN:INN:BAN:JAN] Flunitrazepam-neuraxpharm Fluridrazepam Hypnodorm (TN) 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-5-(2-FLUOROPHENYL)-1-METHYL-7-NITRO- Narcozep 5-(2-Fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2(1H)-one Primun AKOS005066009 Rohypnol TC-160680 DB01544 Fluninoc Flunitrazepam neuraxpharm Flunitrazepamum GTPL4360 1,3-Dihydro-5-(o-fluorophenyl)-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one Insom (TN) 5-(2-Fluorophenyl)-1-methyl-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one Nilium (TN) 5-24-04-00350 (Beilstein Handbook Reference) RO-5-4200 BDBM25878 Rufinol (TN) ct-Arzneimittel Brand of Flunitrazepam Vulbegal (TN) DTXSID7023065 Flunitrazepam solution, drug standard, 1.0 mg/mL in methanol Flunitrazepam, European Pharmacopoeia (EP) Reference Standard flunizep von ct HMS503E03 1A Brand of Flunitrazepam Merck dura Brand ofFlunitrazepam 5-(2-Fluorophenyl)-1-methyl-7-nitro-1H-benzo[e][1,4]diazepin-2(3H)-one NSC708829 A810363 Roche Brand of Flunitrazepam CCRIS 5287 Silece (TN) D0W2NM [3H]flunitrazepam Flunibeta Flunitrazepam 0.1 mg/ml in Methanol Flunitrazepam-ratiopharm FT-0603567 (E)-5-(2-fluorophenyl)-1-methyl-7-nitro-1H-benzo[e][1,4]diazepin-2(3H)-one IDI1_000981 2H-1,4-Benzodiazepin-2-one, 5-(2-fluorophenyl)-1,3-dihydro-1-methyl-7-nitro- Narcozep\|\|\|Rohypnol 5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one ratiopharm Brand of Flunitrazepam AN-49559 Rohypnol (TN) CHEMBL13280 Teva Brand of Flunitrazepam DEA No. 2763 flunipam Flunitrazepam ratiopharm [ Show all ]
Inchi Key	PPTYJKAXVCCBDU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
PubChem CID	3380
ChEMBL	CHEMBL13280
IUPHAR	N/A
BindingDB	25878
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	<100000.0 nM	PMID2885419	BindingDB,ChEMBL

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