Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BNG14J
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| Binder Name |
2-[(4R,7S,10R,13S,19R,22R,25S,28R,31S,34R)-34-[[(2S,3S)-2-Acetamido-3-methylpentanoyl]amino]-25-(3-amino-3-oxopropyl)-4-carbamoyl-7-[3-(diaminomethylideneamino)propyl]-10,13-bis(1H-imidazol-5-ylmethyl)-19-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-28,31-di(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-22-yl]acetic acid
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| Synonyms |
CHEMBL263238; BDBM50159053
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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 |
C64H94N22O16S2
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)CCC(=O)N)CC(=O)O)CC2=CNC3=CC=CC=C32)CC4=CN=CN4)CC5=CN=CN5)CCCN=C(N)N)C(=O)N)NC(=O)C
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| InChI |
1S/C64H94N22O16S2/c1-8-32(6)52(76-33(7)87)63(102)84-46-27-104-103-26-45(53(66)92)83-55(94)39(14-11-17-71-64(67)68)78-58(97)43(20-36-24-70-29-75-36)81-57(96)42(19-35-23-69-28-74-35)77-48(89)25-73-54(93)41(18-34-22-72-38-13-10-9-12-37(34)38)80-59(98)44(21-49(90)91)82-56(95)40(15-16-47(65)88)79-61(100)50(30(2)3)86-62(101)51(31(4)5)85-60(46)99/h9-10,12-13,22-24,28-32,39-46,50-52,72H,8,11,14-21,25-27H2,1-7H3,(H2,65,88)(H2,66,92)(H,69,74)(H,70,75)(H,73,93)(H,76,87)(H,77,89)(H,78,97)(H,79,100)(H,80,98)(H,81,96)(H,82,95)(H,83,94)(H,84,102)(H,85,99)(H,86,101)(H,90,91)(H4,67,68,71)/t32-,39-,40-,41+,42-,43+,44+,45-,46-,50+,51-,52-/m0/s1
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| InChIKey |
JJYLSLCIPRNUJC-DNHBIOEFSA-N
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| PubChem Compound ID | ||||
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