Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0D6MO
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| Former ID |
DNC005786
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| Drug Name |
Pen(Acm)AQFRKEKETFC(Acm)-OH
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| Synonyms |
CHEMBL412929
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C64H98N18O19S2
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| Canonical SMILES |
CC1C(=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
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| 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
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| InChIKey |
IYWWTDYPQATACO-BDUUBTEFSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | T-cell surface antigen CD2 (CD2) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-activity studies of peptides from the "hot-spot" region of human CD2 protein: development of peptides for immunomodulation. J Med Chem. 2005 Oct 6;48(20):6236-49. | |||
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