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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	Cavia porcellus (Guinea pig)
Gene	BDKRB2
Synonym	B2R BK-2 receptor
Disease	N/A for non-human GPCRs
Length	372
Amino acid sequence	MFNITSQVSALNATLAQGNSCLDAEWWSWLNTIQAPFLWVLFVLAVLENIFVLSVFFLHKSSCTVAEIYLGNLAVADLILAFGLPFWAITIANNFDWLFGEVLCRMVNTMIQMNMYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCALLLSSPMLVFRTMKDYRDEGHNVTACLIIYPSLTWQVFTNVLLNLVGFLLPLSIITFCTVQIMQVLRNNEMQKFKEIQTERRATVLVLAVLLLFVVCWLPFQIGTFLDTLRLLGFLPGCWEHVIDLITQISSYLAYSNSCLNPLVYVIVGKRFRKKSREVYHGLCRSGGCVSEPAQSENSMGTLRTSISVDRQIHKLQDWARSSSEGTPPGLL
UniProt	O70526
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	CHEMBL4111
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL1793829
Molecular formula	C55H80N14O11S
IUPAC name	(2S,3aS,7aS)-1-[1-[(3R)-2-[(2S,5S)-5-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(hydroxymethyl)-4-oxo-6-thiophen-2-ylhexanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]ethenyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Molecular weight	1145.39
Hydrogen bond acceptor	16
Hydrogen bond donor	11
XlogP	-3.7
Synonyms	BDBM50408817
Inchi Key	FZFMUAZXNFWNCL-NHHPSZOVSA-N
Inchi ID	InChI=1S/C55H80N14O11S/c1-31(69-41-16-5-4-11-33(41)23-45(69)53(79)80)43-22-32-10-2-3-12-34(32)28-67(43)50(76)35(30-70)24-46(72)40(26-37-13-9-21-81-37)64-47(73)27-63-49(75)44-25-36(71)29-68(44)52(78)42-17-8-20-66(42)51(77)39(15-7-19-62-55(59)60)65-48(74)38(56)14-6-18-61-54(57)58/h2-3,9-10,12-13,21,33,35-36,38-45,70-71H,1,4-8,11,14-20,22-30,56H2,(H,63,75)(H,64,73)(H,65,74)(H,79,80)(H4,57,58,61)(H4,59,60,62)/t33-,35-,36+,38+,39-,40-,41-,42-,43+,44-,45-/m0/s1
PubChem CID	56668285
ChEMBL	CHEMBL1793829
IUPHAR	N/A
BindingDB	50408817
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	1995.26 nM	PMID9986712	BindingDB,ChEMBL

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