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| Ligand ID | VNZ |
| InChI | InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-/m1/s1 |
| InChIKey | ACRHBAYQBXXRTO-OAQYLSRUSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CN(CCCN1CCc2cc(c(cc2CC1=O)OC)OC)C[C@H]3Cc4c3cc(c(c4)OC)OC | | CACTVS 3.385 | COc1cc2CCN(CCCN(C)C[C@H]3Cc4cc(OC)c(OC)cc34)C(=O)Cc2cc1OC | | CACTVS 3.385 | COc1cc2CCN(CCCN(C)C[CH]3Cc4cc(OC)c(OC)cc34)C(=O)Cc2cc1OC | | OpenEye OEToolkits 2.0.7 | CN(CCCN1CCc2cc(c(cc2CC1=O)OC)OC)CC3Cc4c3cc(c(c4)OC)OC |
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| Formula | C27 H36 N2 O5 |
| Name | Ivabradine;
3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;
3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8ofi Chain C Residue 901
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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