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BioLiP

PDB CCD ID: U3X
Number of entries in BioLiP: 0
Chemical formula: C16 H24 N2 O2
InChI: InChI=1S/C16H24N2O2/c17-15(16(19)20)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h6-9,13,15,18H,1-5,10-11,17H2,(H,19,20)/t15-/m0/s1
InChIKey: NUIBFAHQOJEDAX-HNNXBMFYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[CH](Cc1ccc(NCC2CCCCC2)cc1)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc2ccc(NCC1CCCCC1)cc2
OpenEye OEToolkits 1.7.6c1cc(ccc1C[C@@H](C(=O)O)N)NCC2CCCCC2
CACTVS 3.370N[C@@H](Cc1ccc(NCC2CCCCC2)cc1)C(O)=O
OpenEye OEToolkits 1.7.6c1cc(ccc1CC(C(=O)O)N)NCC2CCCCC2
Name:4-[(cyclohexylmethyl)amino]-L-phenylalanine
ZINC: ZINC000098209484
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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