Structure of PDB 2p1c Chain B Binding Site BS04 |
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| Ligand ID | GG3 |
| InChI | InChI=1S/C14H25NO7P2/c1-15(11-6-5-9-13-7-3-2-4-8-13)12-10-14(16,23(17,18)19)24(20,21)22/h2-4,7-8,16H,5-6,9-12H2,1H3,(H2,17,18,19)(H2,20,21,22) |
| InChIKey | VFLFYDXGZMGUAF-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C[N@](CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O | | CACTVS 3.341 | CN(CCCCc1ccccc1)CCC(O)([P](O)(O)=O)[P](O)(O)=O | | OpenEye OEToolkits 1.5.0 | CN(CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O | | ACDLabs 10.04 | O=P(O)(O)C(O)(P(=O)(O)O)CCN(C)CCCCc1ccccc1 |
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| Formula | C14 H25 N O7 P2 |
| Name | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-1,1-DIYL}BIS(PHOSPHONIC ACID) |
| ChEMBL | CHEMBL56073 |
| DrugBank | |
| ZINC | ZINC000002010268
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| PDB chain | 2p1c Chain B Residue 8004
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