T-kinin   

GtoPdb Ligand ID: 639

Synonyms: [Ile,Ser]bradykinin | Ile-Ser-BK
Species: Human, Rat
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES OCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(C(CC)C)N)CO)CCCN=C(N)N
Isomeric SMILES OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)N)CO)CCCN=C(N)N
InChI InChI=1S/C59H89N17O14/c1-3-34(2)47(60)53(85)72-41(32-77)50(82)69-37(19-10-24-65-58(61)62)54(86)76-28-14-23-45(76)56(88)75-27-12-21-43(75)51(83)67-31-46(79)68-39(29-35-15-6-4-7-16-35)48(80)73-42(33-78)55(87)74-26-13-22-44(74)52(84)71-40(30-36-17-8-5-9-18-36)49(81)70-38(57(89)90)20-11-25-66-59(63)64/h4-9,15-18,34,37-45,47,77-78H,3,10-14,19-33,60H2,1-2H3,(H,67,83)(H,68,79)(H,69,82)(H,70,81)(H,71,84)(H,72,85)(H,73,80)(H,89,90)(H4,61,62,65)(H4,63,64,66)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-,47-/m0/s1
InChI Key GKCWYHPGFSRBQV-WRBAKOPXSA-N
Classification
Compound class Endogenous peptide in human, mouse or rat
Ligand families/groups Neuropeptides
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]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
Synonyms
[Ile,Ser]bradykinin | Ile-Ser-BK
Gene/Precursor
Gene symbol Gene name Species Precursor protein name Synonyms
KNG1 kininogen 1 Human kininogen-1 precursor alpha-2-thiol proteinase inhibitor, BDK, bradykinin, kininogen, KNG
Kng2 kininogen 2 Rat kininogen-1 precursor alpha-1-MAP, kininogen, kininogen 1, kininogen 1, variant 1, KINKG, KINKH, KINT1G, K-kininogen, differential splicing leads to HMW Kngk, Kng, Kng1, Kng1_v1, Kngk, Kngt, Kngt1, Kng_v1, LMW T-kininogen I, major acute phase protein, Map1, MGC93589, RATKINKG, RATKINKH, RATKINT1G, RATTKG6, thiostatin, Tkg, TKG6, T-kininogen, T-kininogen 1, T-kininogen I, T-kininogen see also D11Elh1 and D11Mit8
Database Links
CAS Registry No. 86030-63-9
GtoPdb PubChem SID 135651895
PubChem CID 123643
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UniProtKB P01042 (Hs), P01048 (Rn), P08932 (Rn)