Drug Information
Drug General Information | Top | |||
---|---|---|---|---|
Drug ID |
D01ARY
|
|||
Former ID |
DNC005994
|
|||
Drug Name |
Bbs-Arg-(D-Pip)-Gly-S-(GS)3-Gly-Hir
|
|||
Synonyms |
CHEMBL414341; Bbs-Arg-(D-Pip)-Gly-S-(GS)3-Gly-Hir
Click to Show/Hide
|
|||
Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
|||
Formula |
C108H158N26O41S
|
|||
Canonical SMILES |
CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C4CCCCN4C(=O)C(CCCN=C(N)N)NS(=O)(=O)C5=CC=C(C=C5)C(C)(C)C
|
|||
InChI |
1S/C108H158N26O41S/c1-8-56(4)89(105(171)134-41-15-20-77(134)103(169)126-64(32-37-86(150)151)95(161)123-63(31-36-85(148)149)96(162)129-70(44-58-21-25-60(139)26-22-58)100(166)128-68(42-55(2)3)98(164)127-67(106(172)173)29-34-78(109)140)131-97(163)65(33-38-87(152)153)124-94(160)62(30-35-84(146)147)125-99(165)69(43-57-16-10-9-11-17-57)130-101(167)71(45-88(154)155)118-79(141)46-113-90(156)72(51-135)119-80(142)47-114-91(157)73(52-136)120-81(143)48-115-92(158)74(53-137)121-82(144)49-116-93(159)75(54-138)122-83(145)50-117-102(168)76-19-12-13-40-133(76)104(170)66(18-14-39-112-107(110)111)132-176(174,175)61-27-23-59(24-28-61)108(5,6)7/h9-11,16-17,21-28,55-56,62-77,89,132,135-139H,8,12-15,18-20,29-54H2,1-7H3,(H2,109,140)(H,113,156)(H,114,157)(H,115,158)(H,116,159)(H,117,168)(H,118,141)(H,119,142)(H,120,143)(H,121,144)(H,122,145)(H,123,161)(H,124,160)(H,125,165)(H,126,169)(H,127,164)(H,128,166)(H,129,162)(H,130,167)(H,131,163)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,172,173)(H4,110,111,112)/t56-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76+,77-,89-/m0/s1
|
|||
InChIKey |
QVAVWYLBNALTPM-TVNHPFTQSA-N
|
|||
PubChem Compound ID |
References | Top | |||
---|---|---|---|---|
REF 1 | Transforming bivalent ligands into retractable enzyme inhibitors through polypeptide-protein interactions. Bioorg Med Chem Lett. 2005 Dec 1;15(23):5120-3. |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.