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BioLiP Library

PDB CCD ID: O23
Number of entries in BioLiP: 2
Chemical formula: C21 H19 N5 O S
InChI: InChI=1S/C21H19N5OS/c27-21(25-16-7-8-16)15-5-3-14(4-6-15)18-13-24-20-19(22-9-10-26(18)20)23-12-17-2-1-11-28-17/h1-6,9-11,13,16H,7-8,12H2,(H,22,23)(H,25,27)
InChIKey: YUHKXKGPLTYXSO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(sc1)CNc2c3ncc(n3ccn2)c4ccc(cc4)C(=O)NC5CC5
ACDLabs 12.01O=C(NC1CC1)c2ccc(cc2)c3cnc4c(nccn34)NCc5sccc5
CACTVS 3.385O=C(NC1CC1)c2ccc(cc2)c3cnc4n3ccnc4NCc5sccc5
Name:N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
ChEMBL: CHEMBL3410069
ZINC: ZINC000200237140
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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