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BioLiP

PDB CCD ID: 5AR
Number of entries in BioLiP: 0
Chemical formula: C10 H18 N4 O3
InChI: InChI=1S/C10H18N4O3/c11-6-2-1-3-8-13-14-9(17-8)5-4-7(12)10(15)16/h7H,1-6,11-12H2,(H,15,16)/t7-/m0/s1
InChIKey: AXSUQOHGXNNCKE-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(CCN)Cc1nnc(o1)CC[C@@H](C(=O)O)N
CACTVS 3.385NCCCCc1oc(CC[CH](N)C(O)=O)nn1
OpenEye OEToolkits 1.9.2C(CCN)Cc1nnc(o1)CCC(C(=O)O)N
ACDLabs 12.01O=C(C(N)CCc1nnc(o1)CCCCN)O
CACTVS 3.385NCCCCc1oc(CC[C@H](N)C(O)=O)nn1
Name:(2S)-2-amino-4-[5-(4-aminobutyl)-1,3,4-oxadiazol-2-yl]butanoic acid
ZINC: ZINC000263620253
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).
  • 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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