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BioLiP

PDB CCD ID: IQO
Number of entries in BioLiP: 1
Chemical formula: C34 H29 N7 O
InChI: InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
InChIKey: BIWGYFZAEWGBAL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2Nc1ccccc1N2C8CCN(Cc7ccc(c4nc6c(nc4c3ccccc3)cc5ncnc5c6)cc7)CC8
OpenEye OEToolkits 1.7.0c1ccc(cc1)c2c(nc3cc4c(cc3n2)nc[nH]4)c5ccc(cc5)CN6CCC(CC6)N7c8ccccc8NC7=O
CACTVS 3.370O=C1Nc2ccccc2N1C3CCN(CC3)Cc4ccc(cc4)c5nc6cc7[nH]cnc7cc6nc5c8ccccc8
Name:1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one;
1-{1-[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
ChEMBL: CHEMBL258844
ZINC: ZINC000004846183
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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