Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BZ8TO0
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| Binder Name |
2-[(1R,4S,7S,13S,16S,19R,22S,25S,28R,31S,37S,40S,46S)-19,46-Dibenzyl-4-[(2S)-butan-2-yl]-16,31-bis(3-carbamimidamidopropyl)-25-[(1R)-1-hydroxyethyl]-22-(1H-imidazol-5-ylmethyl)-13-(1H-indol-3-ylmethyl)-14-methyl-3,6,12,15,18,21,24,27,30,33,36,39,45,48-tetradecaoxo-50,51-dithia-2,5,11,14,17,20,23,26,29,32,35,38,44,47-tetradecazatetracyclo[26.20.4.07,11.040,44]dopentacontan-37-yl]acetic acid
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| Synonyms |
CHEMBL4099889; BDBM50263842
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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 |
C80H109N23O17S2
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| Canonical SMILES |
CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N3CCC[C@H]3C(=O)N1)CC4=CNC5=CC=CC=C54)C)CCCNC(=N)N)CC6=CC=CC=C6)CC7=CN=CN7)[C@@H](C)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]8CCCN8C(=O)[C@@H](NC2=O)CC9=CC=CC=C9)CC(=O)O)CCCNC(=N)N
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| InChI |
1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
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| InChIKey |
HPVULTYLDIMYRI-RBKBAHBVSA-N
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| PubChem Compound ID | ||||
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