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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL334538
Molecular formula	C45H74N10O8
IUPAC name	(2S,3aS,7aS)-1-[(3R)-2-[(2S)-2-[11-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]undecanoylamino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Molecular weight	883.149
Hydrogen bond acceptor	11
Hydrogen bond donor	9
XlogP	-0.5
Synonyms	BDBM50408811
Inchi Key	HBAZGNSBGBRHNJ-KTFZPKBHSA-N
Inchi ID	InChI=1S/C45H74N10O8/c46-23-13-12-19-33(47)40(58)53-34(20-15-25-51-45(48)49)41(59)50-24-14-6-4-2-1-3-5-7-22-39(57)52-35(29-56)42(60)54-28-32-18-9-8-16-30(32)26-37(54)43(61)55-36-21-11-10-17-31(36)27-38(55)44(62)63/h8-9,16,18,31,33-38,56H,1-7,10-15,17,19-29,46-47H2,(H,50,59)(H,52,57)(H,53,58)(H,62,63)(H4,48,49,51)/t31-,33-,34-,35-,36-,37+,38-/m0/s1
PubChem CID	44354039
ChEMBL	CHEMBL334538
IUPHAR	N/A
BindingDB	50408811
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	1000.0 nM	PMID9986712	BindingDB,ChEMBL

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