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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	B1 bradykinin receptor
Species	Rattus norvegicus (Rat)
Gene	Bdkrb1
Synonym	KB1 bradykinin receptor BKR1 BK-1 receptor B1R B1BKR B1 receptor Kinin B1 receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	337
Amino acid sequence	MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL
UniProt	P97583
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	CHEMBL4613
IUPHAR	41
DrugBank	N/A

Ligand

Name	CHEMBL96119
Molecular formula	C42H68N12O10
IUPAC name	(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[1-[[2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]cyclooctanecarbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight	901.08
Hydrogen bond acceptor	13
Hydrogen bond donor	12
XlogP	-3.9
Synonyms	N/A
Inchi Key	MWDOMUWNRGUTEA-XDIGFQIYSA-N
Inchi ID	InChI=1S/C42H68N12O10/c43-20-10-7-15-28(44)35(58)51-29(16-11-21-47-41(45)46)36(59)48-25-34(57)53-42(18-8-2-1-3-9-19-42)40(64)49-24-33(56)50-31(26-55)38(61)54-22-12-17-32(54)37(60)52-30(39(62)63)23-27-13-5-4-6-14-27/h4-6,13-14,28-32,55H,1-3,7-12,15-26,43-44H2,(H,48,59)(H,49,64)(H,50,56)(H,51,58)(H,52,60)(H,53,57)(H,62,63)(H4,45,46,47)/t28-,29-,30-,31-,32-/m0/s1
PubChem CID	10795810
ChEMBL	CHEMBL96119
IUPHAR	N/A
BindingDB	N/A
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
pD2	5.7 -	PMID11170638	ChEMBL

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