| Reaction Details |
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 | Report a problem with these data |
| Target | Cholinesterase |
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| Ligand | BDBM50135151 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_41266 (CHEMBL654391) |
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| Ki | 16200±n/a nM |
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| Citation |  Zaheer-Ul-Haq, ZU; Wellenzohn, B; Liedl, KR; Rode, BM Molecular docking studies of natural cholinesterase-inhibiting steroidal alkaloids from Sarcococca saligna. J Med Chem46:5087-90 (2003) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cholinesterase |
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| Name: | Cholinesterase |
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| Synonyms: | Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | CHLE_HUMAN | Choline esterase II | Cholinesterases | Cholinesterases; ACHE & BCHE | Pseudocholinesterase |
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| Type: | Homotetramer |
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| Mol. Mass.: | 68422.27 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P06276 |
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| Residue: | 602 |
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| Sequence: | MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDC
LYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALG
FLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPG
SHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEI
LLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDV
VGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLER
RDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMT
KLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCV
GL
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| BDBM50135151 |
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| n/a |
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| Name | BDBM50135151 |
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| Synonyms: | CHEMBL343365 | N-[(2S,3R,5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-Dimethylamino-ethyl)-2-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl]-benzamide | N-[(2S,3R,5S,8R,9S,10S,13S,14S,17S)-17-(1-Dimethylamino-ethyl)-2-hydroxy-10-methyl-13-(S)-methyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl]-benzamide |
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| Type | Small organic molecule |
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| Emp. Form. | C30H46N2O2 |
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| Mol. Mass. | 466.6984 |
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| SMILES | C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)c5ccccc5)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C |
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| Structure | 
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