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BioLiP

PDB CCD ID: 0Q1
Number of entries in BioLiP: 1
Chemical formula: C20 H19 N O2
InChI: InChI=1S/C20H19NO2/c1-13-19(14(2)23-21-13)16-9-8-15-10-11-20(22,18(15)12-16)17-6-4-3-5-7-17/h3-9,12,22H,10-11H2,1-2H3/t20-/m1/s1
InChIKey: SEOJJNHYXOQNOZ-HXUWFJFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(c(on1)C)c2ccc3c(c2)[C@@](CC3)(c4ccccc4)O
ACDLabs 12.01n4oc(c(c1cc2c(cc1)CCC2(O)c3ccccc3)c4C)C
CACTVS 3.370Cc1onc(C)c1c2ccc3CC[C@@](O)(c4ccccc4)c3c2
OpenEye OEToolkits 1.7.6Cc1c(c(on1)C)c2ccc3c(c2)C(CC3)(c4ccccc4)O
CACTVS 3.370Cc1onc(C)c1c2ccc3CC[C](O)(c4ccccc4)c3c2
Name:(1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol
ZINC: ZINC000098207848
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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