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BioLiP Library

PDB CCD ID: GVQ
Number of entries in BioLiP: 1
Chemical formula: C14 H14 Cl N
InChI: InChI=1S/C14H14ClN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2/t14-/m1/s1
InChIKey: PNKKPFLBOWGVSF-CQSZACIVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC[CH](c1ccccc1)c2ccc(Cl)cc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)[C@@H](CN)c2ccc(cc2)Cl
CACTVS 3.341NC[C@H](c1ccccc1)c2ccc(Cl)cc2
ACDLabs 10.04Clc1ccc(cc1)C(c2ccccc2)CN
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(CN)c2ccc(cc2)Cl
Name:(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE
DrugBank: DB07860
ZINC: ZINC000002576552
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)(download the PDF file).
  • 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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