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BioLiP

PDB CCD ID: PQG
Number of entries in BioLiP: 0
Chemical formula: C13 H17 N O2
InChI: InChI=1S/C13H17NO2/c14-13(12(15)16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16)/t11-,13+
InChIKey: TWAYLYPZRSXEOS-BJHJDKERSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2CCC(CC2)(C(=O)O)N
ACDLabs 12.01c1(ccccc1)C2CCC(N)(C(O)=O)CC2
CACTVS 3.385N[C]1(CC[CH](CC1)c2ccccc2)C(O)=O
CACTVS 3.385N[C@]1(CC[C@H](CC1)c2ccccc2)C(O)=O
Name:cis-1-amino-4-phenylcyclohexane-1-carboxylic acid
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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