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BioLiP

PDB CCD ID: WXZ
Number of entries in BioLiP: 1
Chemical formula: C17 H15 Cl O2
InChI: InChI=1S/C17H15ClO2/c18-14-8-6-11(7-9-14)13-5-4-12-2-1-3-15(17(19)20)16(12)10-13/h4-10,15H,1-3H2,(H,19,20)/t15-/m1/s1
InChIKey: HMSUYCUFTVOQJG-OAHLLOKOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)[CH]1CCCc2ccc(cc12)c3ccc(Cl)cc3
CACTVS 3.385OC(=O)[C@@H]1CCCc2ccc(cc12)c3ccc(Cl)cc3
OpenEye OEToolkits 2.0.7c1cc(ccc1c2ccc3c(c2)C(CCC3)C(=O)O)Cl
OpenEye OEToolkits 2.0.7c1cc(ccc1c2ccc3c(c2)[C@@H](CCC3)C(=O)O)Cl
ACDLabs 12.01Clc1ccc(cc1)c1ccc2CCCC(c2c1)C(=O)O
Name:(1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-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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