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BioLiP

PDB CCD ID: SLN
Number of entries in BioLiP: 0
Chemical formula: C18 H29 N7 O11 P2
InChI: InChI=1S/C18H29N7O11P2/c1-17(2)8-13(18(3,4)25(17)29)16(26)21-10-12(35-38(33,34)36-37(30,31)32)9-20-14-6-5-11(22-23-19)7-15(14)24(27)28/h5-7,12-13,20,29H,8-10H2,1-4H3,(H,21,26)(H,33,34)(H2,30,31,32)/t12-,13-/m0/s1
InChIKey: HZRFLJTVCVQAIS-STQMWFEESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1(CC(C(N1O)(C)C)C(=O)NCC(CNc2ccc(cc2[N+](=O)[O-])N=[N+]=[N-])OP(=O)(O)OP(=O)(O)O)C
ACDLabs 10.04[O-][N+](=O)c1cc(/N=[N+]=[N-])ccc1NCC(OP(=O)(O)OP(=O)(O)O)CNC(=O)C2C(N(O)C(C)(C)C2)(C)C
CACTVS 3.341CC1(C)C[C@@H](C(=O)NC[C@H](CNc2ccc(cc2[N+]([O-])=O)N=[N+]=[N-])O[P@](O)(=O)O[P](O)(O)=O)C(C)(C)N1O
OpenEye OEToolkits 1.5.0CC1(C[C@H](C([N@@]1O)(C)C)C(=O)NC[C@H](CNc2ccc(cc2[N+](=O)[O-])N=[N+]=[N-])O[P@@](=O)(O)OP(=O)(O)O)C
CACTVS 3.341CC1(C)C[CH](C(=O)NC[CH](CNc2ccc(cc2[N+]([O-])=O)N=[N+]=[N-])O[P](O)(=O)O[P](O)(O)=O)C(C)(C)N1O
Name:1-(4-AZIDO-2-NITROPHENYL)AMINO-3-(1-OXYL-2,2,5,5-TETRAMETHYLPYRROLIDINYL-3-CARBAMIDO)-2-PROPYLDISPHOSPHATE;
(SL-NANDP)
ZINC: ZINC000058661214
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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