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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	Sar[DPhe8][des-Arg9]BK
Molecular formula	C47H66N12O11
IUPAC name	(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight	975.118
Hydrogen bond acceptor	13
Hydrogen bond donor	10
XlogP	-3.5
Synonyms	AC1L4UG7 Sar[Dphe...8...][des-Arg...9...]Bradykinin Bradykinin, sar-(D-phe(8))des-arg(9) Spa-BK 126959-88-4 Sar-(D-phe(8))des-arg(9)-BK [Sar,D-Phe8,des-Arg9]bradykinin AKOS024457495 (2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[(2-methylaminoacetyl)amino]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-car D0GW6V ZINC169289409 Sar-[D-Phe8]-des-Arg9-Bradykinin [sarcosine,D-Phe8,des-Arg9]bradykinin Bradykinin, N2-(N-methylglycyl)-8-D-phenylalanine-9-de-L-arginine- SCHEMBL20298701 (2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-c GTPL643 [N-methylglycine,D-Phe8,des-Arg9]bradykinin [ Show all ]
Inchi Key	YIUBSFCQATYQJB-VCMDLEIESA-N
Inchi ID	InChI=1S/C47H66N12O11/c1-50-26-38(61)53-31(16-8-20-51-47(48)49)43(66)59-23-11-19-37(59)45(68)58-22-9-17-35(58)41(64)52-27-39(62)54-32(24-29-12-4-2-5-13-29)40(63)56-34(28-60)44(67)57-21-10-18-36(57)42(65)55-33(46(69)70)25-30-14-6-3-7-15-30/h2-7,12-15,31-37,50,60H,8-11,16-28H2,1H3,(H,52,64)(H,53,61)(H,54,62)(H,55,65)(H,56,63)(H,69,70)(H4,48,49,51)/t31-,32-,33+,34-,35-,36-,37-/m0/s1
PubChem CID	164234
ChEMBL	N/A
IUPHAR	643
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
Ki	39.8107 - 79.4328 nM	PMID10422787	IUPHAR

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