Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BSI42H
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| Binder Name |
2-[(3S,6R,12R,15S,21S,24R,30R,33S)-3,21-Dibenzyl-24-(carboxymethyl)-12,30-bis[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,20,23,26,29,32-decaoxo-1,4,7,10,13,19,22,25,28,31-decazatricyclo[31.3.0.015,19]hexatriacontan-6-yl]acetic acid
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| Synonyms |
CHEMBL384237; BDBM50003324
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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 |
C52H72N16O14
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| Canonical SMILES |
C1C[C@H]2C(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N2C1)CC4=CC=CC=C4)CC(=O)O)CCCN=C(N)N)CC5=CC=CC=C5)CC(=O)O)CCCN=C(N)N
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| InChI |
1S/C52H72N16O14/c53-51(54)57-19-7-15-31-43(75)60-28-40(70)62-34(26-42(73)74)46(78)66-36(24-30-13-5-2-6-14-30)50(82)68-22-10-18-38(68)48(80)64-32(16-8-20-58-52(55)56)44(76)59-27-39(69)61-33(25-41(71)72)45(77)65-35(23-29-11-3-1-4-12-29)49(81)67-21-9-17-37(67)47(79)63-31/h1-6,11-14,31-38H,7-10,15-28H2,(H,59,76)(H,60,75)(H,61,69)(H,62,70)(H,63,79)(H,64,80)(H,65,77)(H,66,78)(H,71,72)(H,73,74)(H4,53,54,57)(H4,55,56,58)/t31-,32-,33-,34-,35+,36+,37+,38+/m1/s1
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| InChIKey |
LTTDQXHCPTUBMH-VKUCYIRESA-N
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| PubChem Compound ID | ||||
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