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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	CHEMBL2372278
Molecular formula	C52H76N14O12S
IUPAC name	(2S)-2-[[2-[cyclohexyl-[(3R)-2-[(2S)-2-[[(2S)-2-[[2-[[(2R,4S)-1-[(2R)-1-[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]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight	1121.33
Hydrogen bond acceptor	15
Hydrogen bond donor	11
XlogP	-1.9
Synonyms	BDBM50408045
Inchi Key	ITWVUFJONPNTGF-RFIHDBAVSA-N
Inchi ID	InChI=1S/C52H76N14O12S/c53-51(54)57-19-7-6-18-44(71)63-21-9-17-39(63)48(75)66-28-34(68)24-40(66)46(73)59-26-42(69)61-37(25-35-15-10-22-79-35)45(72)62-38(30-67)47(74)65-27-32-12-5-4-11-31(32)23-41(65)49(76)64(33-13-2-1-3-14-33)29-43(70)60-36(50(77)78)16-8-20-58-52(55)56/h4-5,10-12,15,22,33-34,36-41,67-68H,1-3,6-9,13-14,16-21,23-30H2,(H,59,73)(H,60,70)(H,61,69)(H,62,72)(H,77,78)(H4,53,54,57)(H4,55,56,58)/t34-,36-,37-,38-,39+,40+,41+/m0/s1
PubChem CID	73353240
ChEMBL	CHEMBL2372278
IUPHAR	N/A
BindingDB	50408045
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	0.49 nM	PMID8691478	BindingDB
Kd	22.39 nM	PMID8691478	ChEMBL

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