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BioLiP

PDB CCD ID: ZAL
Number of entries in BioLiP: 0
Chemical formula: C9 H17 N O2
InChI: InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m1/s1
InChIKey: ORQXBVXKBGUSBA-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@H](CC1CCCCC1)C(O)=O
ACDLabs 10.04O=C(O)C(N)CC1CCCCC1
OpenEye OEToolkits 1.5.0C1CCC(CC1)CC(C(=O)O)N
CACTVS 3.341N[CH](CC1CCCCC1)C(O)=O
OpenEye OEToolkits 1.5.0C1CCC(CC1)C[C@H](C(=O)O)N
Name:3-cyclohexyl-D-alanine
ChEMBL: CHEMBL441123
ZINC: ZINC000012502778
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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