Structure of PDB 6tbh Chain A Binding Site BS01 |
| >6tbh Chain A (length=539) Species: 498211 (Cellvibrio japonicus Ueda107)
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AAPLPELLSNNGKHALMVDGAPYIILGSQTNNSSNYPDALKDVWPSMEKM
GANTLSIPVAWEQIEPVEGQFDFSFVDVLLKEARQRKVRLVLLWFATWKN
NAPHYAPAWVKLDNARFPRVVKEDGDTLNSLSPLGQNTLAADKKAFVELM
KYLAKRDKDHTVIMVQVQNEVGTYGAVRDYSPMAQAVFNAAVPDDLIQKL
QLKPGTWSQVFGRDADEFFHAYQIARYCDEVTVAGKAIKNLPMYVNVALR
NPFNPGLPGQYSSGGGTDNVLHIWKAAAPNIDLIAPDIYFRDYKTVSKVL
ELYTRPDNALFVAEIGNDQPFARYLFPTLGKGGIGFSPFGMDDTDYTNYP
LGAKVYNDETIEQFAQVYRLVNPMMREWARLSYQGQVWGVAEPLDSTTET
QKWNAEATPEEKEQHKKDRASALTQQLDLGLWDAEVTYGRPMFWVTPPEG
NTPAAGGALIAQLDDNEYLVTAYKARVEFKPSQELAGKKFMIERVEEGRF
EKGKWVMERVWNGDQTDWGLNFTDRPHLLRVKMASYSVQ |
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| Ligand ID | N0K |
| InChI | InChI=1S/C24H37N3O5S/c1-27(2)21-11-7-10-18-17(21)9-8-12-23(18)33(31,32)26-14-6-4-3-5-13-25-20-15-22(29)24(30)19(20)16-28/h7-12,19-20,22,24-26,28-30H,3-6,13-16H2,1-2H3/t19-,20-,22+,24-/m0/s1 |
| InChIKey | YQJKLKLPVRSCCE-QRVLJTFESA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@H]3C[C@H]([C@H]([C@H]3CO)O)O | | CACTVS 3.385 | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[C@H]3C[C@@H](O)[C@@H](O)[C@H]3CO | | OpenEye OEToolkits 2.0.7 | CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCNC3CC(C(C3CO)O)O | | CACTVS 3.385 | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3C[CH](O)[CH](O)[CH]3CO |
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| Formula | C24 H37 N3 O5 S |
| Name | 5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6tbh Chain A Residue 601
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| Enzyme Commision number |
3.2.1.23: beta-galactosidase. |
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