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BioLiP

PDB CCD ID: XYC
Number of entries in BioLiP: 0
Chemical formula: C8 H15 N O2
InChI: InChI=1S/C8H15NO2/c9-7(8(10)11)5-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
InChIKey: KDYAKYRBGLKMAK-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](CC1CCCC1)C(O)=O
CACTVS 3.385N[CH](CC1CCCC1)C(O)=O
OpenEye OEToolkits 2.0.5C1CCC(C1)CC(C(=O)O)N
OpenEye OEToolkits 2.0.5C1CCC(C1)C[C@@H](C(=O)O)N
Name:(2~{S})-2-azanyl-3-cyclopentyl-propanoic acid
ChEMBL: CHEMBL4091021
ZINC: ZINC000002045921
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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