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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.
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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	CHEMBL2369364
Molecular formula	C38H55N11O6S
IUPAC name	(2S)-2-[[(2S)-1-[(3S)-2-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-thiophen-2-ylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight	793.989
Hydrogen bond acceptor	10
Hydrogen bond donor	8
XlogP	-2.1
Synonyms	BDBM50407811
Inchi Key	IYLGSJULQPVTHE-MGZZYCNSSA-N
Inchi ID	InChI=1S/C38H55N11O6S/c39-26(12-5-15-44-37(40)41)32(50)47-28(20-25-11-7-17-56-25)34(52)48-21-24-10-2-1-8-22(24)18-31(48)35(53)49-29-14-4-3-9-23(29)19-30(49)33(51)46-27(36(54)55)13-6-16-45-38(42)43/h1-2,7-8,10-11,17,23,26-31H,3-6,9,12-16,18-21,39H2,(H,46,51)(H,47,50)(H,54,55)(H4,40,41,44)(H4,42,43,45)/t23?,26-,27-,28-,29?,30-,31-/m0/s1
PubChem CID	73345363
ChEMBL	CHEMBL2369364
IUPHAR	N/A
BindingDB	50407811
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	794.33 nM	PMID8642569	BindingDB,ChEMBL

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