BIOPEP-UWM: Report

ID 3076
Name hirudin (55-65)
sequence
DFEEIPEEYLQ
Function:
Inhibitor of thrombin (EC 3.4.21.5) (MEROPS ID: S01.217)
 
Number of residues
11
Activity code
at
Activity :
antithrombotic
Chemical mass 1411.4618 Monoisotopic mass 1410.6168
EC50 :
0.00 µM


Bibliographic data:
Authors
Thurieau C., Simonet S., Paladino J., Prost J. F., Verbeuren T., Fauchère J. L.
Title
New N alpha-guanidinobenzoyl derivatives of hirudin-54-65 containing stabilized carboxyl or phosphoryl groups on the side chain of phenylalanine-63. J. Med. Chem., 37, 625-629, 1994
Year Source
1994 Journal


Additional information:
BIOPEP-UWM database of bioactive peptides

SMILES: [H][C@](N)(CC(O)=O)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)N[C@@]([H])(CCC(O)=O)C(=O)N[C@@]([H])(CCC(O)=O)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])(CCC(O)=O)C(=O)N[C@@]([H])(CCC(O)=O)C(=O)N[C@@]([H])(CC1=CC=C(O)C=C1)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCC(N)=O)C(O)=O

InChI=1S/C64H90N12O24/c1-5-33(4)53(75-58(93)41(21-26-51(85)86)68-55(90)38(18-23-48(79)80)69-60(95)44(29-34-10-7-6-8-11-34)72-54(89)37(65)31-52(87)88)63(98)76-27-9-12-46(76)62(97)70-40(20-25-50(83)84)56(91)67-39(19-24-49(81)82)57(92)74-45(30-35-13-15-36(77)16-14-35)61(96)73-43(28-32(2)3)59(94)71-42(64(99)100)17-22-47(66)78/h6-8,10-11,13-16,32-33,37-46,53,77H,5,9,12,17-31,65H2,1-4H3,(H2,66,78)(H,67,91)(H,68,90)(H,69,95)(H,70,97)(H,71,94)(H,72,89)(H,73,96)(H,74,92)(H,75,93)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,99,100)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,53-/m0/s1

InChIKey=ZSKRGRXWAIAOSO-JXKVUTFHSA-N


Database reference:
ChEMBL: ID CHEMBL412685

ChemSpider: ID 17292136

J-GLOBAL: ID 200907083078944490

Nikkaji: ID J584.698F

PepBank: peptide DFEEIPEEYLQ

PubChem: CID 16135623