Structure of PDB 2onh Chain A Binding Site BS04 |
| >2onh Chain A (length=543) Species: 29719 (Mentha spicata)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
MRRSGNYNPSRWDVNFIQSLLSDYKEDKHVIRASELVTLVKMELEKETDQ
IRQLELIDDLQRMGLSDHFQNEFKEILSSIYLDHHYYKNPFPKEERDLYS
TSLAFRLLREHGFQVAQEVFDSFKNEEGEFKESLSDDTRGLLQLYEASFL
LTEGETTLESAREFATKFLEEKVNEGGVDGDLLTRIAYSLDIPLHWRIKR
PNAPVWIEWYRKRPDMNPVVLELAILDLNIVQAQFQEELKESFRWWRNTG
FVEKLPFARDRLVECYFWNTGIIEPRQHASARIMMGKVNALITVIDDIYD
VYGTLEELEQFTDLIRRWDINSIDQLPDYMQLCFLALNNFVDDTSYDVMK
EKGVNVIPYLRQSWVDLADKYMVEARWFYGGHKPSLEEYLENSWQSISGP
CMLTHIFFRVTDSFTKETVDSLYKYHDLVRWSSFVLRLADDLGTSVEEVS
RGDVPKSLQCYMSDYNASEAEARKHVKWLIAEVWKKMNAERVSKDSPFGK
DFIGCAVDLGRMAQLMYHNGDGHGTQHPIIHQQMTRTLFEPFA |
|
|
| Ligand ID | F3P |
| InChI | InChI=1S/C10H23FO7P2/c1-8(2)6-5-7-10(4,9(3)11)17-20(15,16)18-19(12,13)14/h8-9H,5-7H2,1-4H3,(H,15,16)(H2,12,13,14)/t9?,10-/m0/s1 |
| InChIKey | JUOIVVAWJCVSPX-AXDSSHIGSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(=O)(O)O | | CACTVS 3.341 | CC(C)CCC[C](C)(O[P](O)(=O)O[P](O)(O)=O)[CH](C)F | | CACTVS 3.341 | CC(C)CCC[C@](C)(O[P@](O)(=O)O[P](O)(O)=O)[C@H](C)F | | OpenEye OEToolkits 1.5.0 | CC(C)CCCC(C)(C(C)F)OP(=O)(O)OP(=O)(O)O | | ACDLabs 10.04 | O=P(OP(=O)(OC(C(F)C)(C)CCCC(C)C)O)(O)O |
|
| Formula | C10 H23 F O7 P2 |
| Name | (1S)-1-[(1S)-1-FLUOROETHYL]-1,5-DIMETHYLHEXYL TRIHYDROGEN DIPHOSPHATE;
2-FLUOROLINALYL DIPHOSPHATE |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 2onh Chain A Residue 600
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
