Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6EV5A
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| Ligand Name |
N-((1S,2R)-3-(((1S)-2-(Cyclohexylamino)-1--methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide
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| Synonyms |
CHEMBL1210359; N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE; BDBM50322882; Q27457177; N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(ethylamino)-5-(N-phenylmethylsulfonamido)benzamide
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| Structure |
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Download2D MOL
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| Formula |
C35H47N5O5S
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| Canonical SMILES |
CCNC1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNC(C)C(=O)NC3CCCCC3)O)N(C4=CC=CC=C4)S(=O)(=O)C
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| InChI |
1S/C35H47N5O5S/c1-4-36-29-21-27(22-31(23-29)40(46(3,44)45)30-18-12-7-13-19-30)35(43)39-32(20-26-14-8-5-9-15-26)33(41)24-37-25(2)34(42)38-28-16-10-6-11-17-28/h5,7-9,12-15,18-19,21-23,25,28,32-33,36-37,41H,4,6,10-11,16-17,20,24H2,1-3H3,(H,38,42)(H,39,43)/t25-,32-,33+/m0/s1
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| InChIKey |
SMMANAWVXZZNER-DZMJNENTSA-N
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| PubChem Compound ID | ||||
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