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BioLiP

PDB CCD ID: YKB
Number of entries in BioLiP: 1
Chemical formula: C23 H19 N5 O2
InChI: InChI=1S/C23H19N5O2/c24-19(29)8-9-20(30)28-22-14-5-2-1-4-13(14)21-15(22)6-3-7-16(21)23-26-17-10-11-25-12-18(17)27-23/h1-7,10-12,22H,8-9H2,(H2,24,29)(H,26,27)(H,28,30)/t22-/m1/s1
InChIKey: ROTVJYWUPWSGIX-JOCHJYFZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)CCC(=O)N)c4[nH]c5cnccc5n4
OpenEye OEToolkits 1.7.2c1ccc2c(c1)-c3c(cccc3C2NC(=O)CCC(=O)N)c4[nH]c5cnccc5n4
CACTVS 3.370NC(=O)CCC(=O)N[CH]1c2ccccc2c3c1cccc3c4[nH]c5cnccc5n4
CACTVS 3.370NC(=O)CCC(=O)N[C@@H]1c2ccccc2c3c1cccc3c4[nH]c5cnccc5n4
ACDLabs 12.01O=C(N)CCC(=O)NC5c1ccccc1c4c5cccc4c3nc2ccncc2n3
Name:N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-SUCCINAMIDE
ZINC: ZINC000073196874
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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