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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	B2 bradykinin receptor
Species	Rattus norvegicus (Rat)
Gene	Bdkrb2
Synonym	B2 receptor B2BKR B2BRA BK-2 receptor BK2R bradykinin receptor B2R [ Show all ]
Disease	N/A for non-human GPCRs
Length	396
Amino acid sequence	MDTRSSLCPKTQAVVAVFWGPGCHLSTCIEMFNITTQALGSAHNGTFSEVNCPDTEWWSWLNAIQAPFLWVLFLLAALENIFVLSVFCLHKTNCTVAEIYLGNLAAADLILACGLPFWAITIANNFDWLFGEVLCRVVNTMIYMNLYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWSCTLLLSSPMLVFRTMKDYREEGHNVTACVIVYPSRSWEVFTNMLLNLVGFLLPLSIITFCTVRIMQVLRNNEMKKFKEVQTEKKATVLVLAVLGLFVLCWFPFQISTFLDTLLRLGVLSGCWNERAVDIVTQISSYVAYSNSCLNPLVYVIVGKRFRKKSREVYQAICRKGGCMGESVQMENSMGTLRTSISVDRQIHKLQDWAGNKQ
UniProt	P25023
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	CHEMBL2501
IUPHAR	42
DrugBank	N/A

Ligand

Name	cetirizine
Molecular formula	C21H25ClN2O3
IUPAC name	2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid
Molecular weight	388.892
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.7
Synonyms	83881-52-1 (di-hydrochloride) Prestwick2_000503 AKOS003589059 SC-18167 BDBM22890 TimTec1_002075 C07778 ZKLPARSLTMPFCP-UHFFFAOYSA-N [2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]-ethoxy]acetic acid Cetrizine Dihcl CTK7J5576 (2-{4-[(4-Chloro-phenyl)-phenyl-methyl]-piperazin-1-yl}-ethoxy)-acetic acid FT-0654660 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid HY-17042 24161-EP2281815A1 NC00696 AC-5545 RT-007014 AN-10906 SCHEMBL4176 BRD-A42571354-300-05-4 Xarlin Cetiderm Zyrtec Syrup Cetirizine [INN:BAN] CHEBI:3561 HMS1539O07 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]acetic acid L000655 24161-EP2305640A2 NCGC00167781-03 Prestwick0_000503 Acetic acid, (2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)- SBI-0206838.P001 BCP08787 ST024755 BSPBio_002302 Ziptek Cetirizina [2-[4-[(4-Chlorophenyl)-phenyl methyl]-1-piperazinyl] ethoxy] acetic acid Cetirizinum [Latin] CPD001453715 EN300-52521 HMS3393N10 MFCD00800721 81C510 A10107 Prestwick3_000503 AKOS021729457 SC-19204 Benaday U095 C21H25ClN2O3 Zyrlex Cetirizine (INN) [2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetic acid Cetrizine Hcl D07662 (2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid GTPL1222 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazino}ethoxy)acetic acid I06-0454 24161-EP2295409A1 NCGC00167781-01 NCGC00167781-04 AC1L1E7T SAM002548972 AN-15756 Setir BRD-A42571354-300-07-0 Z1182332250 Cetiderm (TN) Zyrtec-D CetirizineHydrochloride DB00341 110271-EP2284166A1 HMS3259D06 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid LS-11409 24161-EP2311827A1 Prestwick1_000503 Acetic acid, [2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]- SC-17992 BCP28477 STK711108 C-5854 Zirtek Cetirizina [Spanish] [2-[4-[(4-chlorophenyl)phenylmethyl] 1-piperazinyl]-ethoxy] acetic acid Cetrizide CS-0886 (2-(4-((4-Chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)acetic acid FT-0603001 2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic acid HSDB 7739 24161-EP2272832A1 MolPort-002-506-309 83881-51-0 AB0019096 Reactine (TN) Alerlisin SC-19390 BPBio1_000469 Virlix CC0153 Zyrtec (TN) CETIRIZINE HYDROCHLORIDE Cetryn D0DK8V (2-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid (2HCl) Hitrizin Film Tablet 2-(2-{4-[(4-chlorophenyl)phenylmethyl]piperazinyl}ethoxy)acetic acid J-005737 24161-EP2301933A1 NCGC00167781-02 NCGC00167781-07 AC1Q768B SAM002589989 BBL009968 SPBio_002346 BSPBio_000425 Zerviate Cetirizin [(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethyl)oxy]acetic acid Cetirizinum CHEMBL1000 DTXSID4022787 110271-EP2298415A1 HMS3370I19 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetic acid MCULE-8668839822 24161-EP2314590A1 [ Show all ]
Inchi Key	ZKLPARSLTMPFCP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)
PubChem CID	2678
ChEMBL	CHEMBL1000
IUPHAR	1222
BindingDB	22890
DrugBank	DB00341
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	27.0 %	PMID10509924	ChEMBL

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