Structure of PDB 7f9v Chain B Binding Site BS01 |
| >7f9v Chain B (length=476) Species: 5811 (Toxoplasma gondii)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
TAKKDENFSEWYTQAIVRSEMIEYYDISGCYIMRPWAFHIWEKVQRFFDD
EIKKMGVENSYFPMFVSRHKLEEVAWVTHYGDSPLPEKIAIRPTSETIMY
PAYAKWIRSHRDLPLKLNQWCSVVRWEFKQPTPFLRTREFLWQEGHTAHA
TEEEAWELVLDILELYRRWYEECLAVPVIKGEKSEGEKFAGGKKTTTVEA
FIPENGRGIQAATSHLLGTNFAKMFEIEFEDEEGHKRLVHQTSWGCTTRS
LGVMIMTHGDDKGLVIPPRVASVQVVIIPILFKDENTGEILGKCRELKTM
LEKADIRVRIDDRSNYTPGWKYNHWEVKGVPLRLELGPKDLAKGTARVVR
RDTGEAYQISWADLAPKLLELMEGIQRSLFEKAKARLHEGIEKISTFDEV
MPALNRKHLVLAPWCEDPESEEQIKKETQKLSEIQAIEGAMKTLCIPFDQ
PPMPEGTKCFYTGKPAKRWTLWGRSY |
|
|
| Ligand ID | 1TI |
| InChI | InChI=1S/C27H27FN6O2/c1-17-8-22(34-7-6-27(16-29,25(34)36)26(2)4-5-26)12-23(32-17)24(35)30-13-18-9-19(11-21(28)10-18)20-14-31-33(3)15-20/h8-12,14-15H,4-7,13H2,1-3H3,(H,30,35)/t27-/m0/s1 |
| InChIKey | PFICVJYRZDMEIX-MHZLTWQESA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | Cn1cc(cn1)c2cc(F)cc(CNC(=O)c3cc(cc(C)n3)N4CC[C@](C#N)(C4=O)C5(C)CC5)c2 | | CACTVS 3.385 | Cn1cc(cn1)c2cc(F)cc(CNC(=O)c3cc(cc(C)n3)N4CC[C](C#N)(C4=O)C5(C)CC5)c2 | | OpenEye OEToolkits 2.0.7 | Cc1cc(cc(n1)C(=O)NCc2cc(cc(c2)F)c3cnn(c3)C)N4CC[C@@](C4=O)(C#N)C5(CC5)C | | OpenEye OEToolkits 2.0.7 | Cc1cc(cc(n1)C(=O)NCc2cc(cc(c2)F)c3cnn(c3)C)N4CCC(C4=O)(C#N)C5(CC5)C |
|
| Formula | C27 H27 F N6 O2 |
| Name | 4-[(3S)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 7f9v Chain B Residue 902
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
| Enzyme Commision number |
6.1.1.15: proline--tRNA ligase. |
|
|
|
|
|
