Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D05TNI
|
||||
| Former ID |
DNC014812
|
||||
| Drug Name |
FITC-LMNNAEHINQFYMFI
|
||||
| Indication | Discovery agent | Investigative | [529457] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C107H136N22O27S3
|
||||
| Canonical SMILES |
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC<br />=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCSC)C(=O)NC(CC3<br />=CC=CC=C3)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(CC4=CN=CN4)NC(=<br />O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)<br />NC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=S)NC5=CC=CC6=C5C(=O)OC6<br />7C8=C(C=C(C=C8)O)OC9=CC=CC=C79
|
||||
| InChI |
1S/C107H136N22O27S3/c1-10-55(5)88(103(151)125-79(51-85(111)135)99(147)116-68(35-37-82(108)132)91(139)119-73(44-58-21-14-12-15-22-58)98(146)121-74(46-60-29-31-62(130)32-30-60)97(145)118-70(39-41-158-8)93(141)120-75(45-59-23-16-13-17-24-59)101(149)129-89(104(152)153)56(6)11-2)128-102(150)76(47-61-52-112-53-113-61)122-92(140)69(36-38-86(136)137)115-90(138)57(7)114-95(143)77(49-83(109)133)124-100(148)78(50-84(110)134)123-94(142)71(40-42-159-9)117-96(144)72(43-54(3)4)127-106(157)126-67-27-20-26-66-87(67)105(154)156-107(66)64-25-18-19-28-80(64)155-81-48-63(131)33-34-65(81)107/h12-34,48,52-57,68-79,88-89,130-131H,10-11,35-47,49-51H2,1-9H3,(H2,108,132)(H2,109,133)(H2,110,134)(H2,111,135)(H,112,113)(H,114,143)(H,115,138)(H,116,147)(H,117,144)(H,118,145)(H,119,139)(H,120,141)(H,121,146)(H,122,140)(H,123,142)(H,124,148)(H,125,151)(H,128,150)(H,129,149)(H,136,137)(H,152,153)(H2,126,127,157)/t55-,56-,57-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,88?,89?,107?/m0/s1
|
||||
| InChIKey |
IHNJXISEZYRUDB-YDQBPDQJSA-N
|
||||
| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Cysteine protease falcipain-2 | Target Info | Inhibitor | [529457] | |
| References | |||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.