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BioLiP

PDB CCD ID: SSK
Number of entries in BioLiP: 0
Chemical formula: C14 H16 N2
InChI: InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14-/m0/s1
InChIKey: PONXTPCRRASWKW-KBPBESRZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)[C@@H]([C@H](c2ccccc2)N)N
CACTVS 3.385N[CH]([CH](N)c1ccccc1)c2ccccc2
OpenEye OEToolkits 1.9.2c1ccc(cc1)C(C(c2ccccc2)N)N
ACDLabs 12.01NC(C(N)c1ccccc1)c2ccccc2
CACTVS 3.385N[C@H]([C@@H](N)c1ccccc1)c2ccccc2
Name:(1S,2S)-1,2-diphenylethane-1,2-diamine
ChEMBL: CHEMBL467308
ZINC: ZINC000038192988
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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