Structure of PDB 3tw6 Chain B Binding Site BS04 |
>3tw6 Chain B (length=1129) Species: 347834 (Rhizobium etli CFN 42)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
GPISKILVANRSEIAIRVFRAANELGIKTVAIWAEEDKLALHRFKADESY QVGRGPHLARDLGPIESYLSIDEVIRVAKLSGADAIHPGYGLLSESPEFV DACNKAGIIFIGPKADTMRQLGNKVAARNLAISVGVPVVPATEPLAEVAK MAAAIGYPVMLKASWGGGGRGMRVIRSEADLAKEVTEAKREAMAAFGKDE VYLEKLVERARHVESQILGDTHGNVVHLFERDCSVQRRNQKVVERAPAPY LSEAQRQELAAYSLKIAGATNYIGAGTVEYLMDADTGKFYFIEVNPRIQV EHTVTEVVTGIDIVKAQIHILDGAAIGTPQSGVPNQEDIRLNGHALQCRV TTEDPEHNFIPDYGRITAYRSASGFGIRLDGGTSYSGAIITRYYDPLLVK VTAWAPNPLEAISRMDRALREFRIRGVATNLTFLEAIIGHPKFRDNSYTT RFIDTTPELFQQVKRQDRATKLLTYLADVTVNGHPEAKDRPKPLENAARP VVPYNGNGVKDGTKQLLDTLGPKKFGEWMRNEKRVLLTDTTMRDGHQSLL ATRMRTYDIARIAGTYSHALPNLLSLECWGGATFDVSMRFLTEDPWERLA LIREGAPNLLLQMLLRGANGVGYTNYPDNVVKYFVRQAAKGGIDLFRVFD CLNWVENMRVSMDAIAEENKLCEAAICYTGDILNSARPKYDLKYYTNLAV ELEKAGAHIIAVKDMAGLLKPAAAKVLFKALREATGLPIHFHTHDTSGIA AATVLAAVEAGVDAVDAAMDALSGNTSQPCLGSIVEALSGSERDPGLDPA WIRRISFYWEAVRNQYAAFESDLKGPASEVYLHEMPGGQFTNLKEQARSL GLETRWHQVAQAYADANQMFGDIVKVAPSSKVVGDMALMMVSQDLTVADV VSPDREVSFPESVVSMLKGDLGQPPSGWPEALQKKALKGEKPYTVRPGSL LKEADLDAERKVIEKKLEREVSDFEFASYLMYPKVFTDFALASDTYGPVS VLPTPAYFYGLADGEELFADIEKGKTLVIVNQAVSATDSQGMVTVFFELN GQPRRIKVPDRAHGATVRRKAEPHVGAPMPGVISRVFVSSAGDVLVSIEA MKMETAIHAEKDGEVLVKAGDQIDAKDLL |
|
|
Ligand ID | BTI |
InChI | InChI=1S/C10H16N2O2S/c13-5-3-1-2-4-8-9-7(6-15-8)11-10(14)12-9/h5,7-9H,1-4,6H2,(H2,11,12,14)/t7-,8-,9-/m0/s1 |
InChIKey | ARDNWGMSCXSPBF-CIUDSAMLSA-N |
SMILES | Software | SMILES |
---|
CACTVS 3.341 | O=CCCCC[CH]1SC[CH]2NC(=O)N[CH]12 | CACTVS 3.341 | O=CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 | OpenEye OEToolkits 1.5.0 | C1[C@H]2[C@@H]([C@@H](S1)CCCCC=O)NC(=O)N2 | ACDLabs 10.04 | O=C1NC2C(SCC2N1)CCCCC=O | OpenEye OEToolkits 1.5.0 | C1C2C(C(S1)CCCCC=O)NC(=O)N2 |
|
Formula | C10 H16 N2 O2 S |
Name | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL |
ChEMBL | |
DrugBank | DB07497 |
ZINC | ZINC000036470912
|
PDB chain | 3tw6 Chain B Residue 2003
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|