SEQ2FUN

BioLiP

PDB CCD ID: DRN
Number of entries in BioLiP: 2
Chemical formula: C25 H23 N5 O2 S
InChI: InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)
InChIKey: DSXXEELGXBCYNQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4cn(CCCSC(N)=N)c5ccccc45
OpenEye OEToolkits 1.5.0[H]N=C(N)SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C
ACDLabs 10.04O=C5C(c2c1ccccc1n(c2)C)=C(c4c3ccccc3n(c4)CCCSC(=[N@H])N)C(=O)N5
OpenEye OEToolkits 1.5.0[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C
Name:BISINDOLYLMALEIMIDE IX
ChEMBL: CHEMBL6291
ZINC: ZINC000003797930
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).