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BioLiP

PDB CCD ID: 3P2
Number of entries in BioLiP: 1
Chemical formula: C21 H23 N5 O
InChI: InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3
InChIKey: YXPVTKHEWGXKEY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1ccn2c(NC(C)(C)C)c(nc2c1)c4ccc(c3c(onc3C)C)cc4
OpenEye OEToolkits 1.9.2Cc1c(c(on1)C)c2ccc(cc2)c3c(n4ccncc4n3)NC(C)(C)C
CACTVS 3.385Cc1onc(C)c1c2ccc(cc2)c3nc4cnccn4c3NC(C)(C)C
Name:N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine
ChEMBL: CHEMBL3356559
ZINC: ZINC000223256723
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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