Structure of PDB 6w2c Chain A Binding Site BS01 |
| >6w2c Chain A (length=544) Species: 9606 (Homo sapiens)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
GSQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICAQNGGGAFLLPYTI
MAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIA
SYYNTIMAWALYYLISSFTDQLPWTSCKNSWNTGNCTNYFSEDNITWTLH
STSPAEEFYTRHVLQIHRSKGLQDLGGISWQLALCIMLIFTVIYFSIWKG
VKTSGKVVWVTATFPYIALSVLLVRGATLPGAWRGVLFYLKPNWQKLLET
GVWIDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSF
VSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFF
AIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHVWAKRRERFVLAVVITC
FFGSLVTLTFGGAYVVKLLEEYATGPAVLTVALIEAVAVSWFYGITQFCR
DVKEMLGFSPGWFWRICWVAISPLFLLFIIASFLMSPPQLRLFQYNYPYW
SIILGYAIGTSSFICIPTYIAYRLIITPGTFKERIIKSITPETP |
|
|
| Ligand ID | RFY |
| InChI | InChI=1S/C19H20INO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 |
| InChIKey | QJFNUDYGOMCKMV-YOEHRIQHSA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 12.01 | c4(ccc(C1CCNCC1COc2cc3c(cc2)OCO3)cc4)I | | CACTVS 3.385 | Ic1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc4c3 | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1C2CCNCC2COc3ccc4c(c3)OCO4)I | | CACTVS 3.385 | Ic1ccc(cc1)[CH]2CCNC[CH]2COc3ccc4OCOc4c3 | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)I |
|
| Formula | C19 H20 I N O3 |
| Name | I-paroxetine;
(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-iodophenyl)piperidine |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 6w2c Chain A Residue 705
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
| Enzyme Commision number |
? |
|
|
|
|
|
