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BioLiP

PDB CCD ID: 5A6
Number of entries in BioLiP: 0
Chemical formula: C11 H20 N4 O3
InChI: InChI=1S/C11H20N4O3/c12-7-3-1-2-4-9-14-15-10(18-9)6-5-8(13)11(16)17/h8H,1-7,12-13H2,(H,16,17)/t8-/m0/s1
InChIKey: XXNJPPZYKMFZTO-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(CCc1nnc(o1)CCC(C(=O)O)N)CCN
CACTVS 3.385NCCCCCc1oc(CC[CH](N)C(O)=O)nn1
ACDLabs 12.01O=C(C(N)CCc1nnc(CCCCCN)o1)O
OpenEye OEToolkits 1.9.2C(CCc1nnc(o1)CC[C@@H](C(=O)O)N)CCN
CACTVS 3.385NCCCCCc1oc(CC[C@H](N)C(O)=O)nn1
Name:(2S)-2-amino-4-[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid
ZINC: ZINC000263621243
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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