Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BB1T0O
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| Binder Name |
(R)-N-[(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-(3-trifluoromethyl-phenyl)-ethyl]-3-phenyl-2-phenylmethanesulfonylamino-propionamide
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| Synonyms |
CHEMBL309394; BDBM50130065; 2-[N-(Benzylsulfonyl)-D-Phe-3-(trifluoromethyl)-L-Phe-L-Arg-]thiazole
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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 |
C35H38F3N7O5S2
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| Canonical SMILES |
C1=CC=C(C=C1)C[C@H](C(=O)N[C@@H](CC2=CC(=CC=C2)C(F)(F)F)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C3=NC=CS3)NS(=O)(=O)CC4=CC=CC=C4
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| InChI |
1S/C35H38F3N7O5S2/c36-35(37,38)26-14-7-13-25(19-26)21-28(31(47)43-27(15-8-16-42-34(39)40)30(46)33-41-17-18-51-33)44-32(48)29(20-23-9-3-1-4-10-23)45-52(49,50)22-24-11-5-2-6-12-24/h1-7,9-14,17-19,27-29,45H,8,15-16,20-22H2,(H,43,47)(H,44,48)(H4,39,40,42)/t27-,28-,29+/m0/s1
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| InChIKey |
LXTUIXZKXFFKAT-YTCPBCGMSA-N
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| PubChem Compound ID | ||||
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