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BioLiP

PDB CCD ID: W1S
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N3 O
InChI: InChI=1S/C8H11N3O/c9-7(12)6-2-1-4-11-5-3-10-8(6)11/h3,5-6H,1-2,4H2,(H2,9,12)/t6-/m1/s1
InChIKey: VSXNZKCCQSDVAD-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)[CH]1CCCn2ccnc12
CACTVS 3.385NC(=O)[C@H]1CCCn2ccnc12
ACDLabs 12.01n21CCCC(c1ncc2)C(=O)N
OpenEye OEToolkits 2.0.7c1cn2c(n1)C(CCC2)C(=O)N
OpenEye OEToolkits 2.0.7c1cn2c(n1)[C@H](CCC2)C(=O)N
Name:(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide
ZINC: ZINC000075772338
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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