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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	CHEMBL315388
Molecular formula	C42H72N10O8
IUPAC name	(2S)-2-[[(2S)-1-[(2S)-2-[13-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]tridecanoylamino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight	845.1
Hydrogen bond acceptor	11
Hydrogen bond donor	10
XlogP	-0.5
Synonyms	(S)-2-{[(S)-1-((S)-2-{13-[(S)-2-((S)-2,6-Diamino-hexanoylamino)-5-guanidino-pentanoylamino]-tridecanoylamino}-3-hydroxy-propionyl)-pyrrolidine-2-carbonyl]-amino}-3-phenyl-propionic acid BDBM50290545
Inchi Key	YXJFPVFZYQAHPA-ZZTWKDBPSA-N
Inchi ID	InChI=1S/C42H72N10O8/c43-24-14-13-20-31(44)37(55)50-32(21-16-26-48-42(45)46)38(56)47-25-15-8-6-4-2-1-3-5-7-12-23-36(54)49-34(29-53)40(58)52-27-17-22-35(52)39(57)51-33(41(59)60)28-30-18-10-9-11-19-30/h9-11,18-19,31-35,53H,1-8,12-17,20-29,43-44H2,(H,47,56)(H,49,54)(H,50,55)(H,51,57)(H,59,60)(H4,45,46,48)/t31-,32-,33-,34-,35-/m0/s1
PubChem CID	44323260
ChEMBL	CHEMBL315388
IUPHAR	N/A
BindingDB	50290545
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
EC50	980.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:20:2661	BindingDB,ChEMBL

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