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BioLiP Library

PDB CCD ID: ACZ
Number of entries in BioLiP: 2
Chemical formula: C10 H16 N2 O2
InChI: InChI=1S/C10H16N2O2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,7-9H,3,6,11-12H2,(H,13,14)/t7-,8?,9-/m0/s1
InChIKey: LAJWZJCOWPUSOA-SMOXQLQSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CC(C=CC1CCC(C(=O)O)N)N
CACTVS 3.341N[C@@H](CC[C@@H]1C=C[C@@H](N)C=C1)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCC1C=CC(N)C=C1
OpenEye OEToolkits 1.5.0C1=CC(C=CC1CC[C@@H](C(=O)O)N)N
CACTVS 3.341N[CH](CC[CH]1C=C[CH](N)C=C1)C(O)=O
Name:CIS-AMICLENOMYCIN;
2-AMINO-4-(4-AMINO-CYCLOHEXA-2,5-DIENYL)-BUTYRIC ACID
DrugBank: DB02725
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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