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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	CHEMBL2028846
Molecular formula	C40H53N9O7
IUPAC name	2-[3-[(1R,11S,14S,22S,25S)-25-(hydroxymethyl)-2,12,15,20,23,26-hexaoxo-22-phenyl-3,13,16,21,24,27-hexazapentacyclo[25.8.0.03,11.04,9.029,34]pentatriaconta-29,31,33-trien-14-yl]propyl]guanidine
Molecular weight	771.92
Hydrogen bond acceptor	8
Hydrogen bond donor	7
XlogP	0.9
Synonyms	BDBM50407809
Inchi Key	JGTMGDJDZINSCB-WHIHYVNVSA-N
Inchi ID	InChI=1S/C40H53N9O7/c41-40(42)44-19-8-15-28-35(52)43-18-9-17-33(51)47-34(24-10-2-1-3-11-24)37(54)46-29(23-50)38(55)48-22-27-14-5-4-12-25(27)20-32(48)39(56)49-30-16-7-6-13-26(30)21-31(49)36(53)45-28/h1-5,10-12,14,26,28-32,34,50H,6-9,13,15-23H2,(H,43,52)(H,45,53)(H,46,54)(H,47,51)(H4,41,42,44)/t26?,28-,29-,30?,31-,32+,34-/m0/s1
PubChem CID	70694085
ChEMBL	CHEMBL2028846
IUPHAR	N/A
BindingDB	50407809
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	537.03 nM	PMID8642569	BindingDB,ChEMBL

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