Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BI8UA0
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| Binder Name |
(3S)-3-[[(2S)-2-Acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[(2S,3S)-1-[[(3S,6S,9S,12S,15S,18R,23R,26S,29S)-23-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-9-[(2S)-butan-2-yl]-6-(3-carbamimidamidopropyl)-12-[(4-hydroxyphenyl)methyl]-15,26-bis(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)-2,5,8,11,14,17,25,28-octaoxo-20,21-dithia-1,4,7,10,13,16,24,27-octazabicyclo[27.3.0]dotriacontan-18-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
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| Synonyms |
CHEMBL1689444; BDBM50339218
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C88H125N23O20S2
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| Canonical SMILES |
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CC=C(C=C3)O)CC4=CN=CN4)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)C)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N)CC7=CN=CN7)CC(C)C)CCCNC(=N)N
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| InChI |
1S/C88H125N23O20S2/c1-11-47(7)71-85(129)99-58(20-16-30-94-88(90)91)75(119)105-65(32-45(3)4)87(131)111-31-17-21-68(111)84(128)104-63(37-55-40-93-44-96-55)79(123)106-66(82(126)101-60(33-51-18-14-13-15-19-51)76(120)97-49(9)74(118)108-70(46(5)6)73(89)117)41-132-133-42-67(83(127)102-62(36-54-39-92-43-95-54)78(122)100-61(80(124)109-71)35-53-24-28-57(114)29-25-53)107-86(130)72(48(8)12-2)110-81(125)64(38-69(115)116)103-77(121)59(98-50(10)112)34-52-22-26-56(113)27-23-52/h13-15,18-19,22-29,39-40,43-49,58-68,70-72,113-114H,11-12,16-17,20-21,30-38,41-42H2,1-10H3,(H2,89,117)(H,92,95)(H,93,96)(H,97,120)(H,98,112)(H,99,129)(H,100,122)(H,101,126)(H,102,127)(H,103,121)(H,104,128)(H,105,119)(H,106,123)(H,107,130)(H,108,118)(H,109,124)(H,110,125)(H,115,116)(H4,90,91,94)/t47-,48-,49-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,70-,71-,72-/m0/s1
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| InChIKey |
VTMGENFTGPAHPN-ZRPOOPBHSA-N
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| PubChem Compound ID | ||||
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