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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL3038094
Molecular formula	C57H87N19O13S
IUPAC name	(2S)-2-[[2-[[(3R)-2-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-cyclopentylamino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight	1278.5
Hydrogen bond acceptor	18
Hydrogen bond donor	15
XlogP	-7.0
Synonyms	BDBM50408053
Inchi Key	NQKCYHZQUCLNAV-URAHEWLWSA-N
Inchi ID	InChI=1S/C57H87N19O13S/c58-37(15-5-19-65-55(59)60)47(81)71-38(16-6-20-66-56(61)62)50(84)73-22-8-18-42(73)52(86)76-29-35(78)25-43(76)49(83)68-27-45(79)70-40(26-36-14-9-23-90-36)48(82)72-41(31-77)51(85)75-28-33-11-2-1-10-32(33)24-44(75)53(87)74(34-12-3-4-13-34)30-46(80)69-39(54(88)89)17-7-21-67-57(63)64/h1-2,9-11,14,23,34-35,37-44,77-78H,3-8,12-13,15-22,24-31,58H2,(H,68,83)(H,69,80)(H,70,79)(H,71,81)(H,72,82)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t35-,37+,38+,39+,40+,41+,42+,43+,44-/m1/s1
PubChem CID	73351264
ChEMBL	CHEMBL3038094
IUPHAR	N/A
BindingDB	50408053
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Kd	3.16 nM	PMID8691478	BindingDB
Kd	3.162 nM	PMID8691478	ChEMBL

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