Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B0X2YZ
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| Binder Name |
3-[(3S,6S,9S,12R,17R,20S,23S,26S,29S,32S,35S,38S)-12-Amino-9-(3-amino-3-oxopropyl)-20,29-bis[(2S)-butan-2-yl]-26,32-bis(2-carboxyethyl)-35-(carboxymethyl)-17-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]-3,23-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,19,22,25,28,31,34,37-undecaoxo-14,15-dithia-1,4,7,10,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-6-yl]propanoic acid
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| Synonyms |
CHEMBL4062433; BDBM50257258
Click to Show/Hide
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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 |
C71H104N16O24S2
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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](CSSC[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)N)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/C71H104N16O24S2/c1-5-35(3)57-69(109)80-45(22-26-54(93)94)62(102)81-47(30-37-12-16-39(88)17-13-37)66(106)86-58(36(4)6-2)70(110)84-50(67(107)76-42(59(75)99)10-7-8-28-72)34-113-112-33-41(73)60(100)77-43(20-24-52(74)90)61(101)78-44(21-25-53(91)92)63(103)83-49(31-38-14-18-40(89)19-15-38)71(111)87-29-9-11-51(87)68(108)82-48(32-56(97)98)65(105)79-46(64(104)85-57)23-27-55(95)96/h12-19,35-36,41-51,57-58,88-89H,5-11,20-34,72-73H2,1-4H3,(H2,74,90)(H2,75,99)(H,76,107)(H,77,100)(H,78,101)(H,79,105)(H,80,109)(H,81,102)(H,82,108)(H,83,103)(H,84,110)(H,85,104)(H,86,106)(H,91,92)(H,93,94)(H,95,96)(H,97,98)/t35-,36-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,57-,58-/m0/s1
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| InChIKey |
UZZRJYWMMLBEQY-QCGLILANSA-N
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| PubChem Compound ID | ||||
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