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BioLiP

PDB CCD ID: UJ8
Number of entries in BioLiP: 1
Chemical formula: C17 H18 N2 O
InChI: InChI=1S/C17H18N2O/c1-11(2)12-7-9-13(10-8-12)16(20)17-18-14-5-3-4-6-15(14)19-17/h3-11,16,20H,1-2H3,(H,18,19)/t16-/m0/s1
InChIKey: ALKXKMROLUPKRL-INIZCTEOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)c1ccc(cc1)[C@H](O)c2[nH]c3ccccc3n2
OpenEye OEToolkits 2.0.7CC(C)c1ccc(cc1)[C@@H](c2[nH]c3ccccc3n2)O
OpenEye OEToolkits 2.0.7CC(C)c1ccc(cc1)C(c2[nH]c3ccccc3n2)O
CACTVS 3.385CC(C)c1ccc(cc1)[CH](O)c2[nH]c3ccccc3n2
Name:(~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol
ChEMBL: CHEMBL5070147
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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