Drug Information

Drug General Information
Drug ID
D0D6MO
Former ID
DNC005786
Drug Name
Pen(Acm)AQFRKEKETFC(Acm)-OH
Indication Discovery agent Investigative [527770]
Structure
Download
2D MOL

3D MOL
Formula
C64H98N18O19S2
Canonical SMILES
CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O<br />)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)N1)N)C(=O)O)CC2=<br />CC=CC=C2)C(C)O)CCC(=O)O)CCCCN)CCC(=O)O)CCCCN)CCCN=C(N)N<br />)CC3=CC=CC=C3)CCC(=O)N
InChI
1S/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(18-9-11-27-65)54(91)77-43(22-25-49(85)86)57(94)75-40(19-10-12-28-66)55(92)78-44(23-26-50(87)88)59(96)82-51(35(2)83)62(99)80-46(31-37-16-7-4-8-17-37)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,78,92)(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+,47+,51-/m1/s1
InChIKey
IYWWTDYPQATACO-BDUUBTEFSA-N
PubChem Compound ID
44403768
Target and Pathway
Target(s) T-cell surface antigen CD2 Target Info Inhibitor [527770]
KEGG Pathway Cell adhesion molecules (CAMs)
Hematopoietic cell lineage
NetPath Pathway TCR Signaling Pathway
IL2 Signaling Pathway
Reactome Cell surface interactions at the vascular wall
WikiPathways Cell surface interactions at the vascular wall
References
Ref 527770J 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.
Ref 527770J 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.

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