Structure of PDB 1j36 Chain B Binding Site BS02 |
| >1j36 Chain B (length=598) Species: 7227 (Drosophila melanogaster)
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IQAKEYLENLNKELAKRTNVETEAAWAYRSAITDENEKKKNEISAELAKF
MKEVASDTTKFQWRSYQSEDLKRQFKALTKLGYAALPEDDYAELLDTLSA
MESNFAKVKVCDYKDSTKCDLALDPEIEEVISKSRDHEELAYYWREFYDK
AGTAVRSQFERYVELNTKAAKLNNFTSGAEAWLDEYEDDTFEQQLEDIFA
DIRPLYQQIHGYVRFRLRKHYGDAVVSETGPIPMHLLGNMWAQQWSEIAD
IVSPFPEKPLVDVSAEMEKQAYTPLKMFQMGDDFFTSMNLTKLPQDFWDK
SIIEKPTDGRDLVCHASAWDFYLIDDVRIKQCTRVTQDQLFTVHHELGHI
QYFLQYQHQPFVYRTGANPGFHEAVGDVLSLSVSTPKHLEKIGLLKDYVR
DDEARINQLFLTALDKIVFLPFAFTMDKYRWSLFRGEVDKANWNCAFWKL
RDEYSGIEPPVVRSEKDFDAPAKYHISADVEYLRYLVSFIIQFQFYKSAC
IKAGQYDPDNVELPLDNCDIYGSARAGAAFHNMLSMGASKPWPDALEAFN
GERIMSGKAIAEYFEPLRVWLEAENIKNNVHIGWITSNKCVSSHHHHH |
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| Ligand ID | LPR |
| InChI | InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1 |
| InChIKey | RLAWWYSOJDYHDC-BZSNNMDCSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N2CCC[C@H]2C(O)=O | | CACTVS 3.341 | NCCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2CCC[CH]2C(O)=O | | ACDLabs 10.04 | O=C(O)C2N(C(=O)C(NC(C(=O)O)CCc1ccccc1)CCCCN)CCC2 | | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O | | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)CCC(C(=O)O)NC(CCCCN)C(=O)N2CCCC2C(=O)O |
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| Formula | C21 H31 N3 O5 |
| Name | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L-LYSYL-L-PROLINE;
LISINOPRIL |
| ChEMBL | CHEMBL1237 |
| DrugBank | DB00722 |
| ZINC | ZINC000003812863
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| PDB chain | 1j36 Chain B Residue 802
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