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BioLiP Library

PDB CCD ID: YKJ
Number of entries in BioLiP: 1
Chemical formula: C25 H18 N6 O
InChI: InChI=1S/C25H18N6O/c26-21-12-14(8-11-28-21)25(32)31-23-16-5-2-1-4-15(16)22-17(23)6-3-7-18(22)24-29-19-9-10-27-13-20(19)30-24/h1-13,23H,(H2,26,28)(H,29,30)(H,31,32)/t23-/m1/s1
InChIKey: MLQIPNRXDPWOES-HSZRJFAPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1cc(ccn1)C(=O)N[CH]2c3ccccc3c4c2cccc4c5[nH]c6cnccc6n5
ACDLabs 12.01O=C(c1ccnc(N)c1)NC6c2ccccc2c5c6cccc5c4nc3ccncc3n4
OpenEye OEToolkits 1.7.2c1ccc2c(c1)-c3c(cccc3C2NC(=O)c4ccnc(c4)N)c5[nH]c6cnccc6n5
OpenEye OEToolkits 1.7.2c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc(c4)N)c5[nH]c6cnccc6n5
CACTVS 3.370Nc1cc(ccn1)C(=O)N[C@@H]2c3ccccc3c4c2cccc4c5[nH]c6cnccc6n5
Name:2-AMINO-N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)--9H-FLUOREN-9-YL]-ISONICOTINAMIDE
ZINC: ZINC000072318450
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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