Structure of PDB 1o6i Chain B Binding Site BS01 |
| >1o6i Chain B (length=497) Species: 615 (Serratia marcescens)
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TRKAVIGYYFIPTNQINNYTETDTSVVPFPVSNITPAKAKQLTHINFSFL
DINSNLECAWDPATNDAKARDVVNRLTALKAHNPSLRIMFSIGGWYYSND
LGVSHANYVNAVKTPASRAKFAQSCVRIMKDYGFDGVDIDWEYPQAAEVD
GFIAALQEIRTLLNQQTITDGRQALPYQLTIAGAGGAFFLSRYYSKLAQI
VAPLDYINLMTYDLAGPWEKVTNHQAALFGDAAGPTFYNALREANLGWSW
EELTRAFPSPFSLTVDAAVQQHLMMEGVPSAKIVMGVPFYGRAFKGVSGG
NGGQYSSHSTPGEDPYPSTDYWLVGCEECVRDKDPRIASYRQLEQMLQGN
YGYQRLWNDKTKTPYLYHAQNGLFVTYDDAESFKYKAKYIKQQQLGGVMF
WHLGQDNRNGDLLAALDRYFNAADYDDSQLDMGTGLRYTGVGPGNLPIMT
APAYVPGTTYAQGALVSYQGYVWQTKWGYITSAPGSDSAWLKVGRVA |
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| Ligand ID | 0HZ |
| InChI | InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/p+1/t7-,8+/m0/s1 |
| InChIKey | ZRJHYOXNWCMGMW-JGVFFNPUSA-O |
| SMILES | | Software | SMILES |
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| ACDLabs 10.04 | O=C1N2C(C(=O)NC1CCCNC(=[NH2+])/N)CCC2 | | CACTVS 3.341 | NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H]2CCCN2C1=O | | CACTVS 3.341 | NC(=[NH2+])NCCC[CH]1NC(=O)[CH]2CCCN2C1=O |
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| Formula | C11 H20 N5 O2 |
| Name | amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium;
CI-4;
[cyclo-(l-Arg-d-Pro)] |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 1o6i Chain B Residue 1519
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