Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BK97PM
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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)-14,17-dimethyl-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 |
CHEMBL4102353; BDBM50263839
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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 |
C81H111N23O17S2
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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)C)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/C81H111N23O17S2/c1-6-44(2)65-74(116)98-57-41-122-123-42-58(97-68(110)52(25-15-29-87-80(82)83)92-63(106)40-90-67(109)54(37-64(107)108)93-72(114)59-27-17-31-103(59)77(119)56(96-70(57)112)34-47-21-11-8-12-22-47)71(113)100-66(45(3)105)75(117)94-53(36-49-39-86-43-91-49)69(111)95-55(33-46-19-9-7-10-20-46)76(118)101(4)61(26-16-30-88-81(84)85)78(120)102(5)62(35-48-38-89-51-24-14-13-23-50(48)51)79(121)104-32-18-28-60(104)73(115)99-65/h7-14,19-24,38-39,43-45,52-62,65-66,89,105H,6,15-18,25-37,40-42H2,1-5H3,(H,86,91)(H,90,109)(H,92,106)(H,93,114)(H,94,117)(H,95,111)(H,96,112)(H,97,110)(H,98,116)(H,99,115)(H,100,113)(H,107,108)(H4,82,83,87)(H4,84,85,88)/t44-,45+,52-,53-,54-,55+,56-,57-,58-,59-,60-,61-,62-,65-,66-/m0/s1
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| InChIKey |
XZYFGXZTMWAXRL-QKVZEHDSSA-N
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| PubChem Compound ID | ||||
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