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BioLiP Library

PDB CCD ID: 804
Number of entries in BioLiP: 0
Chemical formula: C28 H27 N5
InChI: InChI=1S/C28H27N5/c1-13-29-27(30-14-1)22-9-5-20(6-10-22)19-3-7-21(8-4-19)25-17-23-11-12-24(18-26(23)33-25)28-31-15-2-16-32-28/h3-12,17-18,33H,1-2,13-16H2,(H,29,30)(H,31,32)
InChIKey: VZIHOYLEOYSFAG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C1CNC(=NC1)c2ccc(cc2)c3ccc(cc3)c4[nH]c5cc(ccc5c4)C6=NCCCN6
OpenEye OEToolkits 1.7.2c1cc(ccc1c2ccc(cc2)C3=NCCCN3)c4cc5ccc(cc5[nH]4)C6=NCCCN6
ACDLabs 12.01N6=C(c1cc5c(cc1)cc(c4ccc(c3ccc(C2=NCCCN2)cc3)cc4)n5)NCCC6
Name:6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1H-indole;
DB1804
ZINC: ZINC000095920750
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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