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BioLiP Library

PDB CCD ID: A7A
Number of entries in BioLiP: 3
Chemical formula: C26 H25 N5 O
InChI: InChI=1S/C26H25N5O/c1-17-4-5-18(2)21(12-17)16-31-24-13-20(22-14-28-30(3)15-22)6-7-23(24)29-26(31)25(32)19-8-10-27-11-9-19/h4-15,25,32H,16H2,1-3H3/t25-/m1/s1
InChIKey: RZGFWGNCSYUEPR-RUZDIDTESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1ccc(c(c1)Cn2c3cc(ccc3nc2[C@@H](c4ccncc4)O)c5cnn(c5)C)C
CACTVS 3.385Cn1cc(cn1)c2ccc3nc([C@H](O)c4ccncc4)n(Cc5cc(C)ccc5C)c3c2
CACTVS 3.385Cn1cc(cn1)c2ccc3nc([CH](O)c4ccncc4)n(Cc5cc(C)ccc5C)c3c2
OpenEye OEToolkits 2.0.6Cc1ccc(c(c1)Cn2c3cc(ccc3nc2C(c4ccncc4)O)c5cnn(c5)C)C
ACDLabs 12.01OC(c1n(c2c(n1)ccc(c2)c3cnn(c3)C)Cc4c(ccc(c4)C)C)c5ccncc5
Name:(R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol
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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