Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BP7XF8
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| Binder Name |
3-[(3S,6S,9S,12S,21S,24S,27S,30S,33S,36S,39S,42S)-12-Acetamido-9-(3-amino-3-oxopropyl)-24,33-bis[(2S)-butan-2-yl]-30,36-bis(2-carboxyethyl)-39-(carboxymethyl)-21-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]-3,27-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,18,23,26,29,32,35,38,41-dodecaoxo-1,4,7,10,17,22,25,28,31,34,37,40-dodecazabicyclo[40.3.0]pentatetracontan-6-yl]propanoic acid
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| Synonyms |
CHEMBL4071072; BDBM50257257
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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 |
C78H115N17O26
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| Canonical SMILES |
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)CC(=O)O)CC3=CC=C(C=C3)O)CCC(=O)O)CCC(=O)N)NC(=O)C)C(=O)N[C@@H](CCCCN)C(=O)N)[C@@H](C)CC)CC4=CC=C(C=C4)O)CCC(=O)O
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| InChI |
1S/C78H115N17O26/c1-6-40(3)64-76(119)89-52(27-32-61(103)104)70(113)90-54(37-43-16-20-45(97)21-17-43)74(117)94-65(41(4)7-2)77(120)88-50(68(111)84-47(66(81)109)13-8-10-34-79)25-30-59(100)82-35-11-9-14-48(83-42(5)96)67(110)85-49(24-29-58(80)99)69(112)86-51(26-31-60(101)102)71(114)92-56(38-44-18-22-46(98)23-19-44)78(121)95-36-12-15-57(95)75(118)91-55(39-63(107)108)73(116)87-53(72(115)93-64)28-33-62(105)106/h16-23,40-41,47-57,64-65,97-98H,6-15,24-39,79H2,1-5H3,(H2,80,99)(H2,81,109)(H,82,100)(H,83,96)(H,84,111)(H,85,110)(H,86,112)(H,87,116)(H,88,120)(H,89,119)(H,90,113)(H,91,118)(H,92,114)(H,93,115)(H,94,117)(H,101,102)(H,103,104)(H,105,106)(H,107,108)/t40-,41-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,64-,65-/m0/s1
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| InChIKey |
IHDPMRWNMYMZSW-RLDXAQEFSA-N
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| PubChem Compound ID | ||||
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