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BioLiP

PDB CCD ID: B3K
Number of entries in BioLiP: 1
Chemical formula: C7 H16 N2 O2
InChI: InChI=1S/C7H16N2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/m0/s1
InChIKey: PJDINCOFOROBQW-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCN)CC(CC(=O)O)N
OpenEye OEToolkits 1.5.0C(CCN)C[C@@H](CC(=O)O)N
CACTVS 3.341NCCCC[CH](N)CC(O)=O
CACTVS 3.341NCCCC[C@H](N)CC(O)=O
ACDLabs 10.04O=C(O)CC(N)CCCCN
Name:(3S)-3,7-DIAMINOHEPTANOIC ACID
ZINC: ZINC000002575736
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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