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GPCR

Name	B2 bradykinin receptor
Species	Homo sapiens (Human)
Gene	BDKRB2
Synonym	B2R B2BRA BK-2 receptor B2BKR B2 receptor BK2R bradykinin receptor [ Show all ]
Disease	Unspecified Cancer Hereditary angioedema Inflammatory disease Osteoarthritis Pain Rhinitis Septic shock Traumatic brain injury Brain cancer Asthma [ Show all ]
Length	391
Amino acid sequence	MFSPWKISMFLSVREDSVPTTASFSADMLNVTLQGPTLNGTFAQSKCPQVEWLGWLNTIQPPFLWVLFVLATLENIFVLSVFCLHKSSCTVAEIYLGNLAAADLILACGLPFWAITISNNFDWLFGETLCRVVNAIISMNLYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCTLLLSSPMLVFRTMKEYSDEGHNVTACVISYPSLIWEVFTNMLLNVVGFLLPLSVITFCTMQIMQVLRNNEMQKFKEIQTERRATVLVLVVLLLFIICWLPFQISTFLDTLHRLGILSSCQDERIIDVITQIASFMAYSNSCLNPLVYVIVGKRFRKKSWEVYQGVCQKGGCRSEPIQMENSMGTLRTSISVERQIHKLQDWAGSRQ
UniProt	P30411
Protein Data Bank	N/A
GPCR-HGmod model	P30411
3D structure model	This predicted structure model is from GPCR-EXP P30411.
BioLiP	N/A
Therapeutic Target Database	T23714
ChEMBL	CHEMBL3157
IUPHAR	42
DrugBank	BE0003513

Ligand

Name	Prucalopride
Molecular formula	C18H26ClN3O3
IUPAC name	4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
Molecular weight	367.874
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.0
Synonyms	AS-19549 CHEMBL117287 DSSTox_GSID_57670 KB-80141 R0-93877 SW219198-2 4-Amino-5-chloro-N-(1-(3-methoxypropyl)piperidin-4-yl)-2,3-dihydrobenzofuran-7-carboxamide AB0035840 BDBM50122872 D09205 EX-A1333 MolPort-009-679-441 prucalopride(r-93877) s2875 Y0251 179474-81-8 474P818 AC1MHJYO AM84628 CHEBI:135552 DB06480 HMS3651F04 NCGC00253867-02 R 093877 SR-01000945275 4-Amino-5-chloro-2,3-dihydro-N-(1-(3-methoxypropyl)-4-piperidyl)-7-benzofurancarboxamide 7-Benzofurancarboxamide,4-amino-5-chloro-2,3-dihydro-N-[1-(3-methoxypropyl)-4-piperidinyl]- BCP02177 CS-2574 DSSTox_RID_97345 KS-000006NE Prucalopride (USAN/INN) R093877 Tox21_113885 4-amino-5-chloro-N-[1-(3-methoxypropyl)-4-piperidyl]-2,3-dihydrobenzofuran-7-carboxamide AB1008449 AK170477 C18H26ClN3O3 D0F3ZT FT-0674128 Motegrity PubChem22481 SC-23104 ZINC1891034 AN-3491 DSSTox_CID_31459 HY-14151 PB31402 R-093877 SR-01000945275-1 4-Amino-5-chloro-2,3-dihydro-N-[1-(3-methoxypropyl)-4-piperidinyl]-7-benzofurancarboxamide A25458 BCPP000099 D04QSJ DTXSID5057670 L000891 Prucalopride [USAN:INN:BAN] RL02293 UNII-0A09IUW5TP 0A09IUW5TP 4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide AC-23945 AKOS015951096 CAS-179474-81-8 GTPL243 NCGC00253867-01 Q-3828 SCHEMBL16952 4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxylic acid [1-(3-methoxy-propyl)-piperidin-4-yl]-amide 7-Benzofurancarboxamide, 4-amino-5-chloro-2,3-dihydro-N-[1-(3-methoxypropyl)-4-piperidinyl]- [ Show all ]
Inchi Key	ZPMNHBXQOOVQJL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
PubChem CID	3052762
ChEMBL	CHEMBL117287
IUPHAR	243
BindingDB	50122872
DrugBank	DB06480
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID11438309	PDSP,BindingDB

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