General Information of the Compound
| Compound ID |
CP0299612
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| Compound Name |
(BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH
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| Synonyms |
58-82-2
Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg
BK
BRADYKININ
BRS 640
Bradykinin (synthetic)
Bradykinin, Lysyl
CHEBI:3165
CHEMBL406291
Callidin I
EINECS 200-398-8
Kallidin 9
Kallidin I
L-Bradykinin
L-arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanyl-L-arginine
PRS 640
S8TIM42R2W
Synthetic bradykinin
UNII-S8TIM42R2W
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| Structure |
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| Formula |
C50H73N15O11
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| Molecular Weight |
1060.228
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| Canonical SMILES |
N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
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| InChI |
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
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| InChIKey |
QXZGBUJJYSLZLT-FDISYFBBSA-N
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| CAS |
58-82-2
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02392, B2 bradykinin receptor
Protein ID: PT07055, B2 bradykinin receptor
Protein ID: PT06470, Olfactory receptor 51E2
Clinical Information about the Compound