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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	CHEMBL405644
Molecular formula	C50H80N14O10
IUPAC name	(2S,3aS,7aS)-1-[(3R)-2-[(2S)-2-[4-[[1-[4-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanoylamino]cycloheptanecarbonyl]amino]butanoylamino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Molecular weight	1037.28
Hydrogen bond acceptor	13
Hydrogen bond donor	12
XlogP	-3.8
Synonyms	BDBM50408805
Inchi Key	JAHLQUZQPXZJCT-CYJRSITMSA-N
Inchi ID	InChI=1S/C50H80N14O10/c51-34(16-9-25-58-48(52)53)42(68)61-35(17-10-26-59-49(54)55)43(69)56-23-12-20-41(67)62-50(21-7-1-2-8-22-50)47(74)57-24-11-19-40(66)60-36(30-65)44(70)63-29-33-15-4-3-13-31(33)27-38(63)45(71)64-37-18-6-5-14-32(37)28-39(64)46(72)73/h3-4,13,15,32,34-39,65H,1-2,5-12,14,16-30,51H2,(H,56,69)(H,57,74)(H,60,66)(H,61,68)(H,62,67)(H,72,73)(H4,52,53,58)(H4,54,55,59)/t32-,34+,35-,36-,37-,38+,39-/m0/s1
PubChem CID	44354032
ChEMBL	CHEMBL405644
IUPHAR	N/A
BindingDB	50408805
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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