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BioLiP

PDB CCD ID: P7R
Number of entries in BioLiP: 3
Chemical formula: C17 H15 Cl N4 O3
InChI: InChI=1S/C17H15ClN4O3/c1-22-15-12(7-19-8-13(15)21-17(22)24)20-16(23)10-4-5-25-14-3-2-9(18)6-11(10)14/h2-3,6-8,10H,4-5H2,1H3,(H,20,23)(H,21,24)/t10-/m1/s1
InChIKey: YNHUBGVMTXFOMC-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1C(=O)Nc2cncc(NC(=O)[CH]3CCOc4ccc(Cl)cc34)c12
OpenEye OEToolkits 2.0.7CN1c2c(cncc2NC(=O)C3CCOc4c3cc(cc4)Cl)NC1=O
CACTVS 3.385CN1C(=O)Nc2cncc(NC(=O)[C@@H]3CCOc4ccc(Cl)cc34)c12
ACDLabs 12.01CN1c2c(NC1=O)cncc2NC(=O)C1CCOc2ccc(Cl)cc21
OpenEye OEToolkits 2.0.7CN1c2c(cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)NC1=O
Name:(4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
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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