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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	B2 bradykinin receptor
Species	Oryctolagus cuniculus (Rabbit)
Gene	BDKRB2
Synonym	B2R BK-2 receptor
Disease	N/A for non-human GPCRs
Length	367
Amino acid sequence	MLNITSQVLAPALNGSVSQSSGCPNTEWSGWLNVIQAPFLWVLFVLATLENLFVLSVFCLHKSSCTVAEVYLGNLAAADLILACGLPFWAVTIANHFDWLFGEALCRVVNTMIYMNLYSSICFLMLVSIDRYLALVKTMSIGRMRRVRWAKLYSLVIWGCTLLLSSPMLVFRTMKDYRDEGYNVTACIIDYPSRSWEVFTNVLLNLVGFLLPLSVITFCTVQILQVLRNNEMQKFKEIQTERRATVLVLAVLLLFVVCWLPFQVSTFLDTLLKLGVLSSCWDEHVIDVITQVGSFMGYSNSCLNPLVYVIVGKRFRKKSREVYRAACPKAGCVLEPVQAESSMGTLRTSISVERQIHKLPEWTRSSQ
UniProt	Q28642
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	CHEMBL3453
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL2028847
Molecular formula	C42H55N9O7
IUPAC name	2-[3-[(1R,11S,14S,30S,33S)-33-(hydroxymethyl)-2,12,15,20,31,34-hexaoxo-3,13,16,21,32,35-hexazaheptacyclo[33.8.0.03,11.04,9.021,30.023,28.037,42]tritetraconta-23,25,27,37,39,41-hexaen-14-yl]propyl]guanidine
Molecular weight	797.958
Hydrogen bond acceptor	8
Hydrogen bond donor	6
XlogP	1.0
Synonyms	BDBM50407808
Inchi Key	JXXBOIMAFMXMBZ-ADBBAJODSA-N
Inchi ID	InChI=1S/C42H55N9O7/c43-42(44)46-18-7-14-30-37(54)45-17-8-16-36(53)49-22-28-12-3-1-9-25(28)19-33(49)38(55)48-31(24-52)40(57)50-23-29-13-4-2-10-26(29)20-35(50)41(58)51-32-15-6-5-11-27(32)21-34(51)39(56)47-30/h1-4,9-10,12-13,27,30-35,52H,5-8,11,14-24H2,(H,45,54)(H,47,56)(H,48,55)(H4,43,44,46)/t27?,30-,31-,32?,33-,34-,35+/m0/s1
PubChem CID	70696206
ChEMBL	CHEMBL2028847
IUPHAR	N/A
BindingDB	50407808
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Kd	436.52 nM	PMID8642569	BindingDB,ChEMBL

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