Therapeutic Targets Database
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TTD Drug ID: DNC005786

Drug Information
NamePen(Acm)AQFRKEKETFC(Acm)-OH
IndicationNot AvailableExperimental    
Structure

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InChI1S/C64H98N18O19S2/c1-34-52(89)73-42(21-24-48(68)84)58(95)79-45(30
-36-14-5-3-6-15-36)60(97)76-41(20-13-29-71-64(69)70)56(93)74-39(1
8-9-11-27-65)54(91)77-43(22-25-49(85)86)57(94)75-40(19-10-12-28-6
6)55(92)78-44(23-26-50(87)88)59(96)82-51(35(2)83)62(99)80-46(31-3
7-16-7-4-8-17-37)61(98)81-47(63(100)101)33-103-102-32-38(67)53(90
)72-34/h3-8,14-17,34-35,38-47,51,83H,9-13,18-33,65-67H2,1-2H3,(H2
,68,84)(H,72,90)(H,73,89)(H,74,93)(H,75,94)(H,76,97)(H,77,91)(H,7
8,92)(H,79,95)(H,80,99)(H,81,98)(H,82,96)(H,85,86)(H,87,88)(H,100
,101)(H4,69,70,71)/t34-,35-,38-,39-,40-,41+,42+,43+,44+,45-,46+,4
7+,51-/m1/s1
InChIKeyIYWWTDYPQATACO-BDUUBTEFSA-N
Canonical SMILESCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)
NC(C(=O)NC(CSSCC(C(=O)N1)N)C(=O)O)CC2=CC=CC=C2)C(C)O)CCC(=O)O)CCCCN)CCC
(=O)O)CCCCN)CCCN=C(N)N)CC3=CC=CC=C3)CCC(=O)N    
Isomeric SMILESC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C
(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H]
(C(=O)N1)N)C(=O)O)CC2=CC=CC=C2)[C@@H](C)O)CCC(=O)O)CCCCN)CCC(=O)O)CCCCN)
CCCN=C(N)N)CC3=CC=CC=C3)CCC(=O)N
TargetT-cell surface antigen CD2Inhibitor[1]
Ref 1J Med Chem. 2005 Oct 6;48(20):6236-49.Structure-activity studies of peptides from the "hot-spot" region of human CD2 protein: development of peptides for immunomodulation. To Reference



 

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