Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BK14VJ
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| Binder Name |
(13S,16S,19S,22R)-N-[(2S)-1-Amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-13-(2-amino-2-oxoethyl)-19-benzyl-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carboxamide
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| Synonyms |
CHEMBL2372281; BDBM50023751
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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 |
C46H67N11O9S2
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| Canonical SMILES |
CCOC1=CC=C(C=C1)C[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CSSC3(CCCCC3)CC(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)CC(=O)N)C(C)C)CC4=CC=CC=C4
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| InChI |
1S/C46H67N11O9S2/c1-4-66-30-17-15-29(16-18-30)23-32-40(61)54-33(22-28-12-7-5-8-13-28)42(63)57-38(27(2)3)44(65)55-34(24-36(47)58)41(62)56-35(43(64)53-31(39(48)60)14-11-21-51-45(49)50)26-67-68-46(25-37(59)52-32)19-9-6-10-20-46/h5,7-8,12-13,15-18,27,31-35,38H,4,6,9-11,14,19-26H2,1-3H3,(H2,47,58)(H2,48,60)(H,52,59)(H,53,64)(H,54,61)(H,55,65)(H,56,62)(H,57,63)(H4,49,50,51)/t31-,32+,33-,34-,35?,38-/m0/s1
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| InChIKey |
RKWOSZKALALWQX-CUSBUNPBSA-N
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| PubChem Compound ID | ||||
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