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GPCR

Name	B2 bradykinin receptor
Species	Homo sapiens (Human)
Gene	BDKRB2
Synonym	B2R B2BRA BK-2 receptor B2BKR B2 receptor BK2R bradykinin receptor [ Show all ]
Disease	Unspecified Cancer Hereditary angioedema Inflammatory disease Osteoarthritis Pain Rhinitis Septic shock Traumatic brain injury Brain cancer Asthma [ Show all ]
Length	391
Amino acid sequence	MFSPWKISMFLSVREDSVPTTASFSADMLNVTLQGPTLNGTFAQSKCPQVEWLGWLNTIQPPFLWVLFVLATLENIFVLSVFCLHKSSCTVAEIYLGNLAAADLILACGLPFWAITISNNFDWLFGETLCRVVNAIISMNLYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCTLLLSSPMLVFRTMKEYSDEGHNVTACVISYPSLIWEVFTNMLLNVVGFLLPLSVITFCTMQIMQVLRNNEMQKFKEIQTERRATVLVLVVLLLFIICWLPFQISTFLDTLHRLGILSSCQDERIIDVITQIASFMAYSNSCLNPLVYVIVGKRFRKKSWEVYQGVCQKGGCRSEPIQMENSMGTLRTSISVERQIHKLQDWAGSRQ
UniProt	P30411
Protein Data Bank	N/A
GPCR-HGmod model	P30411
3D structure model	This predicted structure model is from GPCR-EXP P30411.
BioLiP	N/A
Therapeutic Target Database	T23714
ChEMBL	CHEMBL3157
IUPHAR	42
DrugBank	BE0003513

Ligand

Name	BRADYKININ
Molecular formula	C50H73N15O11
IUPAC name	(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight	1060.23
Hydrogen bond acceptor	14
Hydrogen bond donor	12
XlogP	-4.8
Synonyms	Arg1-Pro2-Pro3-Gly4-Phe5-Ser6-Pro7-Phe8-Arg9 Bradykinin, Lysyl CHEMBL406291 Kallidin I PRS 640 (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3 5979-11-3 (triacetate (salt)) Bioadykinin triacetate salt C00306 EINECS 200-398-8 L-Arginine, L-arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanyl- S8TIM42R2W 2-(2-{[1-(2-{2-[2-({1-[1-(2-Amino-5-guanidino-pentanoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonyl}-amino)-acetylamino]-3-phenyl-propionylamino}-3-hydroxy-propionyl)-pyrrolidine-2-carbonyl]-amino}-3-phenyl-propionylamino)-5-guanidino-pentanoic acid AKOS024457374 Bradykinin (8CI,9CI) CHEBI:3165 H-L-Arg-L-Pro-L-Pro-Gly-L-Phe-L-Ser-L-Pro-L-Phe-L-Arg-OH MFCD06763566 UNII-S8TIM42R2W 58-82-2 Arginine, N2-[N-[1-[N-[N-[N-[1-(1-arginyl-L-prolyl)-L-prolyl]glycyl]-3-phenylalanyl]seryl]prolyl]-3-phenylalanyl]- (6CI) bradykinine D0X0BI kinin 9 QXZGBUJJYSLZLT-FDISYFBBSA-N (BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH BK Callidin I FT-0688979 L-arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanyl-L-arginine SCHEMBL3047797 2-(2-{[1-(2-{2-[2-({1-[1-(2-Amino-5-guanidino-pentanoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonyl}-amino)-acetylamino]-3-phenyl-propionylamino}-3-hydroxy-propionyl)-pyrrolidine-2-carbonyl]-amino}-3-phenyl-propionylamino)-5-guanidino-pentanoic acid(B Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg Bradykinin (synthetic) Kallidin 9 NCGC00167139-01 (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{[(2S)-1-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}acetamido)-3-phenylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-5-c 5979-11-3 BDBM50049949 BRS 640 DB12126 L-Arg-L-Pro-L-Pro-Gly-L-Phe-L-Ser-L-Pro-L-Phe-L-Arg RPPGFSPFR (bradykinin triacetate)2-(2-{[1-(2-{2-[2-({1-[1-(2-Amino-5-guanidino-pentanoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonyl}-amino)-acetylamino]-3-phenyl-propionylamino}-3-hydroxy-propionyl)-pyrrolidine-2-carbonyl]-amino}-3-phenyl-propionylamino)-5-gua AC1L96VE CB-2442 GTPL649 L-Bradykinin Synthetic bradykinin [ Show all ]
Inchi Key	QXZGBUJJYSLZLT-FDISYFBBSA-N
Inchi ID	InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
PubChem CID	439201
ChEMBL	CHEMBL406291
IUPHAR	649
BindingDB	50049949
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	0.048978 nM	PMID19473027	BindingDB
EC50	0.04898 nM	PMID19473027	ChEMBL
ED50	1.65 nM	PMID6118437	ChEMBL
Emax	125.0 %	PMID19473027	ChEMBL
IC50	0.501187 - 100.0 nM	PMID8302267, PMID9203620	IUPHAR
IC50	1.8 nM	PMID23403082	BindingDB,ChEMBL
Inhibition	4.0 %	PMID23403082	ChEMBL
Ki	0.065 nM	PMID10514289	BindingDB
Ki	0.065 nM	PMID10514289	ChEMBL
Ki	0.11 nM	PMID10882364	BindingDB,ChEMBL
Ki	0.65 nM	PMID10514288	BindingDB,ChEMBL
Ki	0.6761 nM	PMID8691478	ChEMBL
Ki	1.1 nM	PMID23403082	BindingDB,ChEMBL
pD	8.78 M	PMID6118437	ChEMBL
Relative affinity	100.0 %	PMID6118437	ChEMBL

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