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BioLiP

PDB CCD ID: 1G0
Number of entries in BioLiP: 1
Chemical formula: C22 H20 N4 O2
InChI: InChI=1S/C22H20N4O2/c23-21-20-19(25-22(15-12-16(27)13-15)26(20)11-10-24-21)14-6-8-18(9-7-14)28-17-4-2-1-3-5-17/h1-11,15-16,27H,12-13H2,(H2,23,24)/t15-,16+
InChIKey: SAFIVUCEBPHLEO-IYBDPMFKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1nccn2c(nc(c3ccc(Oc4ccccc4)cc3)c12)[CH]5C[CH](O)C5
OpenEye OEToolkits 1.7.6c1ccc(cc1)Oc2ccc(cc2)c3c4c(nccn4c(n3)C5CC(C5)O)N
CACTVS 3.370Nc1nccn2c(nc(c3ccc(Oc4ccccc4)cc3)c12)[C@@H]5C[C@H](O)C5
ACDLabs 12.01n1ccn2c(c1N)c(nc2C3CC(O)C3)c5ccc(Oc4ccccc4)cc5
Name:cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol
ChEMBL: CHEMBL3651314
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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