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BioLiP Library

PDB CCD ID: UIK
Number of entries in BioLiP: 1
Chemical formula: C22 H22 N4 O
InChI: InChI=1S/C22H22N4O/c1-15-4-3-5-17(10-15)12-26(2)22-19-11-20(25-21(19)23-14-24-22)18-8-6-16(13-27)7-9-18/h3-11,14,27H,12-13H2,1-2H3,(H,23,24,25)
InChIKey: KXUSCHVJJBSONI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cccc(c1)CN(C)c2c3cc([nH]c3ncn2)c4ccc(cc4)CO
CACTVS 3.385CN(Cc1cccc(C)c1)c2ncnc3[nH]c(cc23)c4ccc(CO)cc4
Name:[4-[4-[methyl-[(3-methylphenyl)methyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]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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