Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BJ79MU
|
|||
| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-(3,6-dihydro-2H-pyridin-1-yl)hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
|
|||
| Synonyms |
CHEMBL3402051; BDBM50067548
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C99H178N36O28
|
|||
| Canonical SMILES |
C[C@@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN1CCC=CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)N)O
|
|||
| InChI |
1S/C99H178N36O28/c1-51(2)47-68(89(155)119-55(6)96(162)163)129-86(152)66(33-35-71(104)140)125-81(147)60(26-12-16-38-101)123-84(150)64(30-22-41-113-98(108)109)127-91(157)70-32-24-46-135(70)95(161)54(5)118-80(146)59(25-11-15-37-100)120-74(143)49-115-73(142)48-116-92(158)75(56(7)137)131-90(156)69(50-136)130-85(151)61(28-14-20-45-134-43-18-10-19-44-134)124-83(149)63(29-21-40-112-97(106)107)122-79(145)53(4)117-93(159)76(57(8)138)132-88(154)67(34-36-72(105)141)126-82(148)62(27-13-17-39-102)128-94(160)77(58(9)139)133-87(153)65(121-78(144)52(3)103)31-23-42-114-99(110)111/h10,18,51-70,75-77,136-139H,11-17,19-50,100-103H2,1-9H3,(H2,104,140)(H2,105,141)(H,115,142)(H,116,158)(H,117,159)(H,118,146)(H,119,155)(H,120,143)(H,121,144)(H,122,145)(H,123,150)(H,124,149)(H,125,147)(H,126,148)(H,127,157)(H,128,160)(H,129,152)(H,130,151)(H,131,156)(H,132,154)(H,133,153)(H,162,163)(H4,106,107,112)(H4,108,109,113)(H4,110,111,114)/t52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,75+,76+,77+/m1/s1
|
|||
| InChIKey |
PEBZIKCSRGTWSC-SDODRVGOSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.