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BioLiP Library

PDB CCD ID: 8BZ
Number of entries in BioLiP: 1
Chemical formula: C22 H26 N4 O3
InChI: InChI=1S/C22H26N4O3/c1-14-5-4-6-19-20(14)17(7-10-29-19)24-18-11-16(22(28)25(3)8-9-27)13-26-12-15(2)23-21(18)26/h4-6,11-13,17,24,27H,7-10H2,1-3H3/t17-/m1/s1
InChIKey: YBHKBMJREUZHOV-QGZVFWFLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(CCO)C(=O)c1cn2cc(C)nc2c(N[C@@H]3CCOc4cccc(C)c34)c1
OpenEye OEToolkits 2.0.7Cc1cccc2c1C(CCO2)Nc3cc(cn4c3nc(c4)C)C(=O)N(C)CCO
OpenEye OEToolkits 2.0.7Cc1cccc2c1[C@@H](CCO2)Nc3cc(cn4c3nc(c4)C)C(=O)N(C)CCO
CACTVS 3.385CN(CCO)C(=O)c1cn2cc(C)nc2c(N[CH]3CCOc4cccc(C)c34)c1
Name:N-(2-hydroxyethyl)-N,2-dimethyl-8-[[(4R)-5-methyl-3,4-dihydro-2H-chromen-4-yl]amino]imidazo[1,2-a]pyridine-6-carboxamide
ChEMBL: CHEMBL3348943
ZINC: ZINC000034893072
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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